data_Zr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   6.97
_cell_angle_alpha   110.24
_cell_angle_beta   110.24
_cell_angle_gamma   34.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Os
_chemical_formula_sum   'Zr4 Os2'
_cell_volume   117.0
_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  0.33  0.0  0.81  1.0
  Zr  Zr3  1  0.98  0.0  0.69  1.0
  Zr  Zr4  1  0.2  0.0  0.81  1.0
  Zr  Zr5  1  0.85  0.0  0.68  1.0
  Os  Os0  1  0.67  0.0  0.83  1.0
  Os  Os1  1  0.51  0.0  0.66  1.0

data_Zr2Os
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.37
_cell_length_b   5.61
_cell_length_c   6.97
_cell_angle_alpha   110.24
_cell_angle_beta   90.0
_cell_angle_gamma   107.45
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zr2Os
_chemical_formula_sum   'Zr4 Os2'
_cell_volume   117.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.26  0.93  1.0
  Zr  Zr1  2  0.0  0.39  0.94  1.0
  Os  Os2  2  0.0  0.08  0.08  1.0

Zr Zr Zr Zr Os Os