data_[Li2Cr2Ni2S6]
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
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0045]
_cell_length_b [3.4518]
_cell_length_c [9.1897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCrNiS3]
_chemical_formula_sum '[Li2 Cr2 Ni2 S6]'
_cell_volume [206.4166]
_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  0.2027  0.2500  0.1523  1.0
  Cr  Cr1  2  0.3018  0.7500  0.8322  1.0
  Ni  Ni2  2  0.0794  0.2500  0.6063  1.0
  S  S3  2  0.0685  0.2500  0.8433  1.0
  S  S4  2  0.2546  0.7500  0.5699  1.0
  S  S5  2  0.4437  0.7500  0.1197  1.0
]