data_[Mn1Ir1Rh2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6896]
_cell_length_b [7.1885]
_cell_length_c [5.6407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MnIr(RhS4)2]
_chemical_formula_sum '[Mn1 Ir1 Rh2 S8]'
_cell_volume [190.1468]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Ir  Ir1  1  0.0000  0.0000  0.0000  1.0
  Rh  Rh2  2  0.5000  0.2551  0.5000  1.0
  S  S3  4  0.2785  0.2610  0.1200  1.0
  S  S4  2  0.1941  0.5000  0.6340  1.0
  S  S5  2  0.2041  0.0000  0.6193  1.0
]