data_[Mn2Rh2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5673]
_cell_length_b [5.5641]
_cell_length_c [5.5706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnRhS4]
_chemical_formula_sum '[Mn2 Rh2 S8]'
_cell_volume [172.5576]
_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
[
  Mn  Mn0  2  0.5000  0.0000  0.5000  1.0
  Rh  Rh1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.1286  0.1079  0.3939  1.0
  S  S3  4  0.3977  0.6236  0.3746  1.0
]