data_ZrRhSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   4.41
_cell_angle_alpha   98.44
_cell_angle_beta   98.44
_cell_angle_gamma   38.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRhSe2
_chemical_formula_sum   'Zr1 Rh1 Se2'
_cell_volume   75.91
_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
  Zr  Zr3  1  0.69  0.0  0.33  1.0
  Rh  Rh0  1  0.56  0.0  0.14  1.0
  Se  Se1  1  0.89  0.0  0.22  1.0
  Se  Se2  1  0.97  0.0  0.84  1.0

data_ZrRhSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.41
_cell_length_c   5.32
_cell_angle_alpha   98.44
_cell_angle_beta   109.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRhSe2
_chemical_formula_sum   'Zr1 Rh1 Se2'
_cell_volume   75.91
_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
  Zr  Zr0  1  0.0  0.33  0.69  1.0
  Rh  Rh1  1  0.0  0.14  0.56  1.0
  Se  Se2  1  0.0  0.22  0.89  1.0
  Se  Se3  1  0.0  0.84  0.97  1.0

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