data_[K2Mn2Cr2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2362]
_cell_length_b [3.7269]
_cell_length_c [9.2092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMnCrS3]
_chemical_formula_sum '[K2 Mn2 Cr2 S6]'
_cell_volume [263.3063]
_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  2  0.2188  0.7500  0.2380  1
  Mn  Mn1  2  0.0841  0.7500  0.6072  1
  Cr  Cr2  2  0.3349  0.2500  0.8633  1
  S  S3  2  0.1351  0.7500  0.8677  1
  S  S4  2  0.2151  0.2500  0.5526  1
  S  S5  2  0.4748  0.2500  0.1381  1
]