data_Zr2CdOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CdOs
_chemical_formula_sum   'Zr2 Cd1 Os1'
_cell_volume   79.66
_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  Zr2  1  0.27  0.0  0.44  1.0
  Zr  Zr3  1  0.27  0.0  0.13  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.78  1.0

data_Zr2CdOs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Zr2CdOs
_chemical_formula_sum   'Zr2 Cd1 Os1'
_cell_volume   79.67
_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
  Zr  Zr0  1  0.27  0.0  0.13  1.0
  Zr  Zr1  1  0.27  0.0  0.44  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.78  1.0

Zr Zr Cd Os
Zr Zr Cd Os 0 3 o o o 0 1 o o o 1 2 o o o 2 3 o o - 