data_[Mn4Cr4In4S16]
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
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.3043]
_cell_length_b [7.4235]
_cell_length_c [10.5360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [MnCrInS4]
_chemical_formula_sum '[Mn4 Cr4 In4 S16]'
_cell_volume [571.3004]
_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  0.2500  0.6268  1
  Cr  Cr1  4  0.2500  0.2500  0.2500  1
  In  In2  4  0.0000  0.0000  0.0000  1
  S  S3  8  0.0000  0.0265  0.2500  1
  S  S4  8  0.2485  0.2500  0.0184  1
]