data_Zr2InOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   136.05
_cell_angle_beta   125.25
_cell_angle_gamma   72.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InOs
_chemical_formula_sum   'Zr2 In1 Os1'
_cell_volume   80.65
_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  0.42  0.85  1.0
  Zr  Zr3  1  0.97  0.0  0.38  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.24  1.0

data_Zr2InOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.84
_cell_length_c   5.26
_cell_angle_alpha   117.38
_cell_angle_beta   111.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InOs
_chemical_formula_sum   'Zr2 In1 Os1'
_cell_volume   80.65
_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  0.38  0.41  1.0
  Zr  Zr1  1  0.58  0.43  0.43  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.24  0.24  1.0

Zr Zr In Os