data_ZnRe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.34
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe2Os
_chemical_formula_sum   'Zn1 Re2 Os1'
_cell_volume   58.69
_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  0.0  0.0  0.0  1.0
  Re  Re1  1  0.5  0.0  0.26  1.0
  Re  Re2  1  0.0  0.17  0.26  1.0
  Os  Os0  1  0.5  0.17  0.0  1.0

data_ZnRe2Os
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.34
_cell_length_b   2.99
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZnRe2Os
_chemical_formula_sum   'Zn1 Re2 Os1'
_cell_volume   58.69
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.5  0.26  1.0
  Re  Re2  1  0.17  0.0  0.26  1.0
  Os  Os3  1  0.17  0.5  0.0  1.0

Zn Re Re Os
Zn Re Re Os 0 3 - o o 0 3 o o o 0 2 o o o 1 2 o o o 1 2 + o o 1 3 o o o 