# generated using pymatgen
data_LiCrP2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52572588
_cell_length_b   6.52572588
_cell_length_c   6.12869222
_cell_angle_alpha   82.92773555
_cell_angle_beta   82.92773555
_cell_angle_gamma   97.84092813
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrP2S7
_chemical_formula_sum   'Li1 Cr1 P2 S7'
_cell_volume   253.97183853
_cell_formula_units_Z   1
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  0.89222700  0.10777300  0.50000000  1
  Cr  Cr1  1  0.49798100  0.50201900  0.00000000  1
  P  P2  1  0.94582900  0.63218400  0.08153000  1
  P  P3  1  0.36781600  0.05417100  0.91847000  1
  S  S4  1  0.84859100  0.51374700  0.81223800  1
  S  S5  1  0.50318000  0.83929100  0.76126100  1
  S  S6  1  0.67664800  0.63022200  0.28779200  1
  S  S7  1  0.03524700  0.96475300  0.00000000  1
  S  S8  1  0.36977800  0.32335200  0.71220800  1
  S  S9  1  0.16070900  0.49682000  0.23873900  1
  S  S10  1  0.48625300  0.15140900  0.18776200  1
