data_[Mn4Cr16Co4S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.0028]
_cell_length_b [10.0028]
_cell_length_c [10.0028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [MnCr4CoS8]
_chemical_formula_sum '[Mn4 Cr16 Co4 S32]'
_cell_volume [1000.8444]
_cell_formula_units_Z [4]
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
[
  Mn  Mn0  4  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  16  0.1238  0.1238  0.8762  1.0
  Co  Co2  4  0.2500  0.2500  0.2500  1.0
  S  S3  16  0.1182  0.1182  0.1182  1.0
  S  S4  16  0.1354  0.1354  0.6354  1.0
]