data_[Bi1Rh1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.9031]
_cell_length_b [18.4320]
_cell_length_c [7.1857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BiRhSe3]
_chemical_formula_sum '[Bi1 Rh1 Se3]'
_cell_volume [499.5524]
_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
[
  Bi  Bi0  1  0.6193  0.0000  0.9496  1
  Rh  Rh1  1  0.3151  0.0000  0.3737  1
  Se  Se2  2  0.1997  0.0931  0.1316  1
  Se  Se3  1  0.9082  0.0000  0.5700  1
]