data_[Ti2Cr2Cu2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7915]
_cell_length_b [3.3929]
_cell_length_c [11.5236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiCrCuS4]
_chemical_formula_sum '[Ti2 Cr2 Cu2 S8]'
_cell_volume [226.4384]
_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
[
  Ti  Ti0  2  0.2461  0.2500  0.0041  1.0
  Cr  Cr1  2  0.3039  0.2500  0.4954  1.0
  Cu  Cu2  2  0.2242  0.2500  0.7362  1.0
  S  S3  2  0.0849  0.7500  0.6002  1.0
  S  S4  2  0.0852  0.7500  0.1293  1.0
  S  S5  2  0.4083  0.7500  0.3717  1.0
  S  S6  2  0.4135  0.7500  0.8737  1.0
]