data_ZrOs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.14
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOs2Se
_chemical_formula_sum   'Zr1 Os2 Se1'
_cell_volume   68.46
_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  0.0  0.0  0.61  1.0
  Os  Os0  1  0.58  0.07  0.92  1.0
  Os  Os1  1  0.58  0.07  0.31  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_ZrOs2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.14
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOs2Se
_chemical_formula_sum   'Zr1 Os2 Se1'
_cell_volume   68.46
_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  0.0  0.61  1.0
  Os  Os1  1  0.58  0.07  0.31  1.0
  Os  Os2  1  0.58  0.07  0.92  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Zr Os Os Se
Zr Os Os Se 0 2 - o o 0 2 o o o 0 1 - o o 0 1 o o o 0 3 o o + 1 3 + o + 1 2 o o + 2 3 o o o 2 3 + o o 