# generated using pymatgen
data_LiCrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.12522895
_cell_length_b   13.12522895
_cell_length_c   13.28819833
_cell_angle_alpha   27.56005311
_cell_angle_beta   27.56005311
_cell_angle_gamma   36.15606769
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrP2O7
_chemical_formula_sum   'Li4 Cr4 P8 O28'
_cell_volume   487.57284607
_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  0.23894700  0.01587600  0.39639700  1
  Li  Li1  1  0.76105300  0.98412400  0.60360300  1
  Li  Li2  1  0.98412400  0.76105300  0.10360300  1
  Li  Li3  1  0.01587600  0.23894700  0.89639700  1
  Cr  Cr4  1  0.87411900  0.40189000  0.36311300  1
  Cr  Cr5  1  0.59811000  0.12588100  0.13688700  1
  Cr  Cr6  1  0.40189000  0.87411900  0.86311300  1
  Cr  Cr7  1  0.12588100  0.59811000  0.63688700  1
  P  P8  1  0.75190000  0.90868900  0.97632100  1
  P  P9  1  0.24810000  0.09131100  0.02367900  1
  P  P10  1  0.66616800  0.58381300  0.17833100  1
  P  P11  1  0.41618700  0.33383200  0.32166900  1
  P  P12  1  0.90868900  0.75190000  0.47632100  1
  P  P13  1  0.58381300  0.66616800  0.67833100  1
  P  P14  1  0.09131100  0.24810000  0.52367900  1
  P  P15  1  0.33383200  0.41618700  0.82166900  1
  O  O16  1  0.90969400  0.72534600  0.04818500  1
  O  O17  1  0.33466500  0.18900400  0.60425500  1
  O  O18  1  0.89102800  0.07136800  0.65791500  1
  O  O19  1  0.92863200  0.10897200  0.84208500  1
  O  O20  1  0.07136800  0.89102800  0.15791500  1
  O  O21  1  0.10897200  0.92863200  0.34208500  1
  O  O22  1  0.66533500  0.81099600  0.39574500  1
  O  O23  1  0.72534600  0.90969400  0.54818500  1
  O  O24  1  0.55925400  0.46463800  0.62035300  1
  O  O25  1  0.01823300  0.57499200  0.60645400  1
  O  O26  1  0.79650600  0.61137800  0.61377300  1
  O  O27  1  0.21460500  0.60553900  0.69789700  1
  O  O28  1  0.39446100  0.78539500  0.80210300  1
  O  O29  1  0.53536200  0.44074600  0.87964700  1
  O  O30  1  0.38862200  0.20349400  0.88622700  1
  O  O31  1  0.44074600  0.53536200  0.37964700  1
  O  O32  1  0.81099600  0.66533500  0.89574500  1
  O  O33  1  0.09030600  0.27465400  0.95181500  1
  O  O34  1  0.42500800  0.98176700  0.89354600  1
  O  O35  1  0.18900400  0.33466500  0.10425500  1
  O  O36  1  0.57499200  0.01823300  0.10645400  1
  O  O37  1  0.61137800  0.79650600  0.11377300  1
  O  O38  1  0.46463800  0.55925400  0.12035300  1
  O  O39  1  0.60553900  0.21460500  0.19789700  1
  O  O40  1  0.78539500  0.39446100  0.30210300  1
  O  O41  1  0.20349400  0.38862200  0.38622700  1
  O  O42  1  0.98176700  0.42500800  0.39354600  1
  O  O43  1  0.27465400  0.09030600  0.45181500  1
