data_ZrNbOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   146.58
_cell_angle_beta   146.58
_cell_angle_gamma   47.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNbOs
_chemical_formula_sum   'Zr1 Nb1 Os1'
_cell_volume   54.04
_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  0.0  0.0  0.38  1.0
  Nb  Nb0  1  0.0  0.0  0.12  1.0
  Os  Os1  1  0.0  0.0  0.8  1.0

data_ZrNbOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   113.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrNbOs
_chemical_formula_sum   'Zr2 Nb2 Os2'
_cell_volume   108.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.38  0.0  0.38  1.0
  Nb  Nb1  2  0.12  0.0  0.12  1.0
  Os  Os2  2  0.3  0.5  0.8  1.0

Zr Nb Os
Zr Nb Os 0 1 o o o 1 2 o o - 