# generated using pymatgen
data_Li3Fe4P3H12O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.69050203
_cell_length_b   10.69050203
_cell_length_c   10.69050178
_cell_angle_alpha   60.90346357
_cell_angle_beta   60.90346357
_cell_angle_gamma   60.90346282
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe4P3H12O19
_chemical_formula_sum   'Li6 Fe8 P6 H24 O38'
_cell_volume   881.52426971
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.67777300  0.06392000  0.94082800  1
  Li  Li1  1  0.56392000  0.17777300  0.44082800  1
  Li  Li2  1  0.94082800  0.67777300  0.06392000  1
  Li  Li3  1  0.44082800  0.56392000  0.17777300  1
  Li  Li4  1  0.17777300  0.44082800  0.56392000  1
  Li  Li5  1  0.06392000  0.94082800  0.67777300  1
  Fe  Fe6  1  0.97800000  0.00775800  0.30599200  1
  Fe  Fe7  1  0.80599200  0.50775800  0.47800000  1
  Fe  Fe8  1  0.50775800  0.47800000  0.80599200  1
  Fe  Fe9  1  0.00285700  0.00285700  0.00285700  1
  Fe  Fe10  1  0.50285700  0.50285700  0.50285700  1
  Fe  Fe11  1  0.00775800  0.30599200  0.97800000  1
  Fe  Fe12  1  0.47800000  0.80599200  0.50775800  1
  Fe  Fe13  1  0.30599200  0.97800000  0.00775800  1
  P  P14  1  0.83801900  0.30166600  0.80661400  1
  P  P15  1  0.80166600  0.33801900  0.30661400  1
  P  P16  1  0.33801900  0.30661400  0.80166600  1
  P  P17  1  0.80661400  0.83801900  0.30166600  1
  P  P18  1  0.30166600  0.80661400  0.83801900  1
  P  P19  1  0.30661400  0.80166600  0.33801900  1
  H  H20  1  0.75745000  0.00207400  0.69078100  1
  H  H21  1  0.80777300  0.14086400  0.62906000  1
  H  H22  1  0.45633800  0.03219600  0.22017700  1
  H  H23  1  0.64086400  0.30777300  0.12906000  1
  H  H24  1  0.95633800  0.72017700  0.53219600  1
  H  H25  1  0.50207400  0.25745000  0.19078100  1
  H  H26  1  0.30777300  0.12906000  0.64086400  1
  H  H27  1  0.89646600  0.59622700  0.67501200  1
  H  H28  1  0.39646600  0.17501200  0.09622700  1
  H  H29  1  0.72017700  0.53219600  0.95633800  1
  H  H30  1  0.25745000  0.19078100  0.50207400  1
  H  H31  1  0.17501200  0.09622700  0.39646600  1
  H  H32  1  0.59622700  0.67501200  0.89646600  1
  H  H33  1  0.69078100  0.75745000  0.00207400  1
  H  H34  1  0.03219600  0.22017700  0.45633800  1
  H  H35  1  0.67501200  0.89646600  0.59622700  1
  H  H36  1  0.09622700  0.39646600  0.17501200  1
  H  H37  1  0.62906000  0.80777300  0.14086400  1
  H  H38  1  0.22017700  0.45633800  0.03219600  1
  H  H39  1  0.19078100  0.50207400  0.25745000  1
  H  H40  1  0.53219600  0.95633800  0.72017700  1
  H  H41  1  0.14086400  0.62906000  0.80777300  1
  H  H42  1  0.12906000  0.64086400  0.30777300  1
  H  H43  1  0.00207400  0.69078100  0.75745000  1
  O  O44  1  0.96032900  0.14501300  0.80750700  1
  O  O45  1  0.81626500  0.03940700  0.70607700  1
  O  O46  1  0.78837500  0.18289800  0.34532600  1
  O  O47  1  0.92339400  0.38163200  0.15082700  1
  O  O48  1  0.85377500  0.32194200  0.42976600  1
  O  O49  1  0.82194200  0.35377500  0.92976600  1
  O  O50  1  0.88163200  0.42339400  0.65082700  1
  O  O51  1  0.68289800  0.28837500  0.84532600  1
  O  O52  1  0.47035500  0.13133700  0.14831000  1
  O  O53  1  0.97035500  0.64831000  0.63133700  1
  O  O54  1  0.38163200  0.15082700  0.92339400  1
  O  O55  1  0.53940700  0.31626500  0.20607700  1
  O  O56  1  0.84532600  0.68289800  0.28837500  1
  O  O57  1  0.64501300  0.46032900  0.30750700  1
  O  O58  1  0.46032900  0.30750700  0.64501300  1
  O  O59  1  0.92976600  0.82194200  0.35377500  1
  O  O60  1  0.31626500  0.20607700  0.53940700  1
  O  O61  1  0.64831000  0.63133700  0.97035500  1
  O  O62  1  0.07947600  0.07947600  0.07947600  1
  O  O63  1  0.57947600  0.57947600  0.57947600  1
  O  O64  1  0.13133700  0.14831000  0.47035500  1
  O  O65  1  0.70607700  0.81626500  0.03940700  1
  O  O66  1  0.32194200  0.42976600  0.85377500  1
  O  O67  1  0.80750700  0.96032900  0.14501300  1
  O  O68  1  0.18289800  0.34532600  0.78837500  1
  O  O69  1  0.42339400  0.65082700  0.88163200  1
  O  O70  1  0.65082700  0.88163200  0.42339400  1
  O  O71  1  0.14831000  0.47035500  0.13133700  1
  O  O72  1  0.63133700  0.97035500  0.64831000  1
  O  O73  1  0.30750700  0.64501300  0.46032900  1
  O  O74  1  0.20607700  0.53940700  0.31626500  1
  O  O75  1  0.42976600  0.85377500  0.32194200  1
  O  O76  1  0.34532600  0.78837500  0.18289800  1
  O  O77  1  0.28837500  0.84532600  0.68289800  1
  O  O78  1  0.35377500  0.92976600  0.82194200  1
  O  O79  1  0.03940700  0.70607700  0.81626500  1
  O  O80  1  0.14501300  0.80750700  0.96032900  1
  O  O81  1  0.15082700  0.92339400  0.38163200  1
