# generated using pymatgen
data_LiCrPH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04581500
_cell_length_b   8.29671500
_cell_length_c   10.54580300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrPH2O5
_chemical_formula_sum   'Li4 Cr4 P4 H8 O20'
_cell_volume   441.48621702
_cell_formula_units_Z   4
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  0.71409400  0.30790100  0.19302100  1
  Li  Li1  1  0.21409400  0.80790100  0.30697900  1
  Li  Li2  1  0.71409400  0.19209900  0.69302100  1
  Li  Li3  1  0.21409400  0.69209900  0.80697900  1
  Cr  Cr4  1  0.26483100  0.10596800  0.10234200  1
  Cr  Cr5  1  0.76483100  0.60596800  0.39765800  1
  Cr  Cr6  1  0.26483100  0.39403200  0.60234200  1
  Cr  Cr7  1  0.76483100  0.89403200  0.89765800  1
  P  P8  1  0.69329200  0.91479300  0.18850900  1
  P  P9  1  0.19329200  0.41479300  0.31149100  1
  P  P10  1  0.69329200  0.58520700  0.68850900  1
  P  P11  1  0.19329200  0.08520700  0.81149100  1
  H  H12  1  0.33316600  0.53222100  0.99593400  1
  H  H13  1  0.16665700  0.67394900  0.04978100  1
  H  H14  1  0.66665700  0.17394900  0.45021900  1
  H  H15  1  0.83316600  0.03222100  0.50406600  1
  H  H16  1  0.33316600  0.96777900  0.49593400  1
  H  H17  1  0.16665700  0.82605100  0.54978100  1
  H  H18  1  0.66665700  0.32605100  0.95021900  1
  H  H19  1  0.83316600  0.46777900  0.00406600  1
  O  O20  1  0.66576500  0.40791700  0.01797100  1
  O  O21  1  0.53990900  0.87361000  0.06172800  1
  O  O22  1  0.59024700  0.08911300  0.21871900  1
  O  O23  1  0.99487200  0.90821600  0.17033500  1
  O  O24  1  0.10343700  0.30056600  0.20339700  1
  O  O25  1  0.60343700  0.80056600  0.29660300  1
  O  O26  1  0.49487200  0.40821600  0.32966500  1
  O  O27  1  0.09024700  0.58911300  0.28128100  1
  O  O28  1  0.03990900  0.37361000  0.43827200  1
  O  O29  1  0.16576500  0.90791700  0.48202900  1
  O  O30  1  0.66576500  0.09208300  0.51797100  1
  O  O31  1  0.53990900  0.62639000  0.56172800  1
  O  O32  1  0.59024700  0.41088700  0.71871900  1
  O  O33  1  0.99487200  0.59178400  0.67033500  1
  O  O34  1  0.10343700  0.19943400  0.70339700  1
  O  O35  1  0.60343700  0.69943400  0.79660300  1
  O  O36  1  0.49487200  0.09178400  0.82966500  1
  O  O37  1  0.09024700  0.91088700  0.78128100  1
  O  O38  1  0.03990900  0.12639000  0.93827200  1
  O  O39  1  0.16576500  0.59208300  0.98202900  1
