data_Zr2NiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   144.06
_cell_angle_beta   131.76
_cell_angle_gamma   61.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NiOs
_chemical_formula_sum   'Zr2 Ni1 Os1'
_cell_volume   69.61
_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  0.23  1.0
  Zr  Zr3  1  0.68  0.0  0.39  1.0
  Ni  Ni0  1  0.0  0.0  0.71  1.0
  Os  Os1  1  0.0  0.22  0.35  1.0

data_Zr2NiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.44
_cell_length_c   5.44
_cell_angle_alpha   114.12
_cell_angle_beta   107.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NiOs
_chemical_formula_sum   'Zr2 Ni1 Os1'
_cell_volume   69.61
_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  0.29  0.61  0.29  1.0
  Zr  Zr1  1  0.77  0.77  0.77  1.0
  Ni  Ni2  1  0.29  0.29  0.29  1.0
  Os  Os3  1  0.65  0.87  0.87  1.0

Zr Zr Ni Os