data_ZrBiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   5.26
_cell_angle_alpha   101.22
_cell_angle_beta   101.22
_cell_angle_gamma   37.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBiOs2
_chemical_formula_sum   'Zr1 Bi1 Os2'
_cell_volume   75.86
_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  0.0  1.0
  Bi  Bi0  1  0.1  0.0  0.57  1.0
  Os  Os1  1  0.64  0.0  0.15  1.0
  Os  Os2  1  0.57  0.0  1.0  1.0

data_ZrBiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.91
_cell_length_c   5.26
_cell_angle_alpha   101.22
_cell_angle_beta   90.0
_cell_angle_gamma   108.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBiOs2
_chemical_formula_sum   'Zr1 Bi1 Os2'
_cell_volume   75.86
_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  0.0  1.0
  Bi  Bi1  1  0.0  0.9  0.43  1.0
  Os  Os2  1  0.0  0.36  0.85  1.0
  Os  Os3  1  0.0  0.43  0.0  1.0

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