data_RhPbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.02
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   107.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RhPbSe2
_chemical_formula_sum   'Rh1 Pb1 Se2'
_cell_volume   86.48
_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
  Rh  Rh1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.36  0.0  0.51  1.0
  Se  Se2  1  0.6  0.01  0.04  1.0
  Se  Se3  1  0.12  0.01  0.99  1.0

data_RhPbSe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.28
_cell_length_b   4.02
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   107.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   RhPbSe2
_chemical_formula_sum   'Rh1 Pb1 Se2'
_cell_volume   86.48
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Rh  Rh0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.36  0.0  0.51  1.0
  Se  Se2  1  0.12  0.0  0.99  1.0
  Se  Se3  1  0.6  0.0  0.04  1.0

Rh Pb Se Se
Rh Pb Se Se 0 3 o o - 0 1 o o o 0 1 - o - 0 2 - o o 1 3 o o - 1 3 o o o 1 2 o o o 1 2 o o + 2 3 o o - 