data_ZrOs5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOs5
_chemical_formula_sum   'Zr1 Os5'
_cell_volume   92.99
_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
  Os  Os0  1  0.11  0.0  0.23  1.0
  Os  Os1  1  0.9  0.56  0.23  1.0
  Os  Os2  1  0.45  0.69  0.23  1.0
  Os  Os3  1  0.46  0.42  0.0  1.0
  Os  Os4  1  0.0  0.84  0.0  1.0

data_ZrOs5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOs5
_chemical_formula_sum   'Zr1 Os5'
_cell_volume   92.99
_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
  Os  Os1  1  -0.0  0.46  0.42  1.0
  Os  Os2  1  -0.0  0.0  0.84  1.0
  Os  Os3  1  0.23  0.11  0.0  1.0
  Os  Os4  1  0.23  0.45  0.69  1.0
  Os  Os5  1  0.23  0.9  0.56  1.0

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