data_Zr2AsOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   140.32
_cell_angle_beta   140.32
_cell_angle_gamma   57.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AsOs
_chemical_formula_sum   'Zr2 As1 Os1'
_cell_volume   74.13
_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  Zr2  1  0.0  0.0  0.98  1.0
  Zr  Zr3  1  0.0  0.93  0.49  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.93  0.0  0.49  1.0

data_Zr2AsOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   5.68
_cell_angle_alpha   109.84
_cell_angle_beta   109.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AsOs
_chemical_formula_sum   'Zr2 As1 Os1'
_cell_volume   74.13
_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  0.02  0.0  0.02  1.0
  Zr  Zr1  1  0.44  0.93  0.44  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.51  0.0  0.44  1.0

Zr Zr As Os