data_[K4Ti2Cr4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1138]
_cell_length_b [10.6064]
_cell_length_c [7.7232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ti(CrS3)2]
_chemical_formula_sum '[K4 Ti2 Cr4 S12]'
_cell_volume [483.4718]
_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
[
  K  K0  4  0.0000  0.1657  0.0000  1
  Ti  Ti1  2  0.0000  0.0000  0.5000  1
  Cr  Cr2  4  0.0000  0.3328  0.5000  1
  S  S3  8  0.2280  0.1679  0.6784  1
  S  S4  4  0.2200  0.5000  0.6787  1
]