data_ZrOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOs3
_chemical_formula_sum   'Zr4 Os12'
_cell_volume   254.08
_cell_formula_units_Z   4
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  Zr12  1  0.0  0.0  0.0  1.0
  Zr  Zr13  1  0.0  0.0  0.57  1.0
  Zr  Zr14  1  0.0  0.27  0.28  1.0
  Zr  Zr15  1  0.83  0.64  0.85  1.0
  Os  Os0  1  0.58  0.45  0.0  1.0
  Os  Os1  1  0.58  0.45  0.57  1.0
  Os  Os2  1  0.0  0.67  0.85  1.0
  Os  Os3  1  0.62  0.07  0.85  1.0
  Os  Os4  1  0.45  0.84  0.28  1.0
  Os  Os5  1  0.83  0.0  0.0  1.0
  Os  Os6  1  0.83  0.0  0.57  1.0
  Os  Os7  1  0.42  0.45  0.0  1.0
  Os  Os8  1  0.42  0.45  0.57  1.0
  Os  Os9  1  0.38  0.07  0.85  1.0
  Os  Os10  1  0.22  0.84  0.28  1.0
  Os  Os11  1  0.83  0.23  0.28  1.0

data_ZrOs3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOs3
_chemical_formula_sum   'Zr4 Os12'
_cell_volume   254.08
_cell_formula_units_Z   4
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  0.27  0.28  1.0
  Zr  Zr1  1  0.0  0.0  0.0  1.0
  Zr  Zr2  1  0.0  0.0  0.57  1.0
  Zr  Zr3  1  0.83  0.64  0.85  1.0
  Os  Os4  1  -0.0  0.67  0.85  1.0
  Os  Os5  1  0.22  0.84  0.28  1.0
  Os  Os6  1  0.38  0.07  0.85  1.0
  Os  Os7  1  0.42  0.45  0.0  1.0
  Os  Os8  1  0.42  0.45  0.57  1.0
  Os  Os9  1  0.45  0.84  0.28  1.0
  Os  Os10  1  0.58  0.45  0.0  1.0
  Os  Os11  1  0.58  0.45  0.57  1.0
  Os  Os12  1  0.62  0.07  0.85  1.0
  Os  Os13  1  0.83  0.0  0.0  1.0
  Os  Os14  1  0.83  0.0  0.57  1.0
  Os  Os15  1  0.83  0.23  0.28  1.0

Zr Zr Zr Zr Os Os Os Os Os Os Os Os Os Os Os Os
Zr Zr Zr Zr Os Os Os Os Os Os Os Os Os Os Os Os 0 9 - o o 1 10 - o o 2 15 - o o 3 6 + o o 4 11 o o o 5 12 o o o 7 13 o o o 8 14 o o o 