data_ZnRh2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.61
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   106.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRh2Se
_chemical_formula_sum   'Zn1 Rh2 Se1'
_cell_volume   63.23
_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
  Zn  Zn3  1  0.88  0.0  0.45  1.0
  Rh  Rh0  1  0.86  0.31  0.02  1.0
  Rh  Rh1  1  0.41  0.0  0.32  1.0
  Se  Se2  1  0.37  0.31  0.03  1.0

data_ZnRh2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.61
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   106.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRh2Se
_chemical_formula_sum   'Zn1 Rh2 Se1'
_cell_volume   63.23
_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
  Zn  Zn0  1  0.88  0.0  0.45  1.0
  Rh  Rh1  1  0.41  0.0  0.32  1.0
  Rh  Rh2  1  0.86  0.31  0.02  1.0
  Se  Se3  1  0.37  0.31  0.03  1.0

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