data_BiRhSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.11
_cell_angle_alpha   113.38
_cell_angle_beta   113.38
_cell_angle_gamma   37.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiRhSe2
_chemical_formula_sum   'Bi1 Rh1 Se2'
_cell_volume   93.5
_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  0.86  0.0  0.02  1.0
  Rh  Rh1  1  0.82  0.0  0.87  1.0
  Se  Se2  1  0.84  0.0  0.47  1.0
  Se  Se3  1  0.46  0.0  0.25  1.0

data_BiRhSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   5.11
_cell_length_c   5.77
_cell_angle_alpha   113.38
_cell_angle_beta   108.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiRhSe2
_chemical_formula_sum   'Bi1 Rh1 Se2'
_cell_volume   93.5
_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  0.0  0.02  0.86  1.0
  Rh  Rh1  1  0.0  0.87  0.82  1.0
  Se  Se2  1  0.0  0.25  0.46  1.0
  Se  Se3  1  0.0  0.47  0.84  1.0

Bi Rh Se Se
Bi Rh Se Se 0 1 o o - 0 2 o o o 1 2 o o o 2 3 o o o 