data_Zr3Os5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Os5
_chemical_formula_sum   'Zr3 Os5'
_cell_volume   134.56
_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  Zr5  1  0.0  0.0  0.0  1.0
  Zr  Zr6  1  0.43  0.02  0.21  1.0
  Zr  Zr7  1  0.43  0.98  0.21  1.0
  Os  Os0  1  0.43  0.0  0.0  1.0
  Os  Os1  1  0.71  0.22  0.0  1.0
  Os  Os2  1  0.71  0.78  0.0  1.0
  Os  Os3  1  0.58  0.0  0.21  1.0
  Os  Os4  1  0.27  0.0  0.21  1.0

data_Zr3Os5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   104.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Os5
_chemical_formula_sum   'Zr3 Os5'
_cell_volume   134.56
_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
  Zr  Zr1  1  0.21  0.43  0.02  1.0
  Zr  Zr2  1  0.21  0.43  0.98  1.0
  Os  Os3  1  -0.0  0.71  0.78  1.0
  Os  Os4  1  -0.0  0.71  0.22  1.0
  Os  Os5  1  0.0  0.43  0.0  1.0
  Os  Os6  1  0.21  0.27  0.0  1.0
  Os  Os7  1  0.21  0.58  0.0  1.0

Zr Zr Zr Os Os Os Os Os
Zr Zr Zr Os Os Os Os Os 0 5 - - o 0 7 o o o 1 2 o - o 1 3 o o o 1 4 o o o 1 6 o o o 1 7 o o o 2 3 o + o 2 6 o + o 2 7 o + o 3 4 o o o 4 6 o o o 5 6 o + o 