data_[Sb4Rh4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [6.2739]
_cell_length_b [6.2681]
_cell_length_c [6.2651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [SbRhSe]
_chemical_formula_sum '[Sb4 Rh4 Se4]'
_cell_volume [246.3775]
_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
[
  Sb  Sb0  4  0.1219  0.6278  0.6197  1.0
  Rh  Rh1  4  0.0023  0.2436  0.4980  1.0
  Se  Se2  4  0.1231  0.1274  0.8753  1.0
]