data_[Mn1Ni1Rh2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  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 [4.5856]
_cell_length_b [7.1679]
_cell_length_c [5.6201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MnNi(RhS4)2]
_chemical_formula_sum '[Mn1 Ni1 Rh2 S8]'
_cell_volume [184.7229]
_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
  Ni  Ni1  1  0.0000  0.0000  0.0000  1.0
  Rh  Rh2  2  0.5000  0.2545  0.5000  1.0
  S  S3  4  0.2974  0.2610  0.8911  1.0
  S  S4  2  0.1859  0.5000  0.3700  1.0
  S  S5  2  0.1889  0.0000  0.3793  1.0
]