data_[Mn4Zn4Cr4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.0844]
_cell_length_b [7.1377]
_cell_length_c [10.0384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [MnZnCrS4]
_chemical_formula_sum '[Mn4 Zn4 Cr4 S16]'
_cell_volume [507.5983]
_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  0.2500  0.2500  0.2500  1.0
  Zn  Zn1  4  0.0000  0.2500  0.6282  1.0
  Cr  Cr2  4  0.0000  0.0000  0.0000  1.0
  S  S3  8  0.0000  0.0194  0.2389  1.0
  S  S4  8  0.2284  0.2500  0.0086  1.0
]