data_Zr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Os
_chemical_formula_sum   'Zr4 Os2'
_cell_volume   116.7
_cell_formula_units_Z   2
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  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.75  1.0
  Zr  Zr4  1  0.0  0.86  0.38  1.0
  Zr  Zr5  1  0.47  0.43  0.13  1.0
  Os  Os0  1  0.47  0.43  0.38  1.0
  Os  Os1  1  0.0  0.86  0.13  1.0

data_Zr2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Os
_chemical_formula_sum   'Zr4 Os2'
_cell_volume   116.7
_cell_formula_units_Z   2
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  0.0  0.0  0.75  1.0
  Zr  Zr2  1  0.0  0.86  0.38  1.0
  Zr  Zr3  1  0.47  0.43  0.13  1.0
  Os  Os4  1  0.0  0.86  0.13  1.0
  Os  Os5  1  0.47  0.43  0.38  1.0

Zr Zr Zr Zr Os Os