data_[Ni2Rh1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [3.6986]
_cell_length_b [5.7029]
_cell_length_c [5.7333]
_cell_angle_alpha [65.3755]
_cell_angle_beta [77.9328]
_cell_angle_gamma [85.1610]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ni2RhS4]
_chemical_formula_sum '[Ni2 Rh1 S4]'
_cell_volume [107.5024]
_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
[
  Ni  Ni0  2  0.3642  0.3206  0.4397  1.0
  Rh  Rh1  1  0.0000  0.0000  0.0000  1.0
  S  S2  2  0.0919  0.4553  0.7494  1.0
  S  S3  2  0.4148  0.0356  0.2559  1.0
]