data_Cu2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.2
_cell_angle_alpha   113.52
_cell_angle_beta   113.52
_cell_angle_gamma   36.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2RhSe
_chemical_formula_sum   'Cu2 Rh1 Se1'
_cell_volume   56.99
_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
  Cu  Cu0  1  0.56  0.0  0.91  1.0
  Cu  Cu1  1  0.15  0.0  0.91  1.0
  Rh  Rh2  1  0.85  0.0  0.91  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Cu2RhSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.2
_cell_length_c   4.99
_cell_angle_alpha   113.52
_cell_angle_beta   108.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2RhSe
_chemical_formula_sum   'Cu2 Rh1 Se1'
_cell_volume   56.99
_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
  Cu  Cu0  1  0.0  0.91  0.15  1.0
  Cu  Cu1  1  0.0  0.91  0.56  1.0
  Rh  Rh2  1  0.0  0.91  0.85  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Cu Cu Rh Se
Cu Cu Rh Se 0 2 o o o 1 3 o o + 2 3 + o + 