data_[Li2Cr2P4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.6920]
_cell_length_b [9.6818]
_cell_length_c [8.0769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiCrP2S7]
_chemical_formula_sum '[Li2 Cr2 P4 S14]'
_cell_volume [577.7200]
_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  2  0.0000  0.2375  0.5000  1.0
  Cr  Cr1  2  0.0000  0.5229  0.0000  1.0
  P  P2  4  0.1613  0.1669  0.9359  1.0
  S  S3  4  0.0300  0.3450  0.7974  1.0
  S  S4  4  0.0810  0.6877  0.8355  1.0
  S  S5  4  0.1860  0.0433  0.7450  1.0
  S  S6  2  0.0000  0.0379  0.0000  1.0
]