data_ZrNi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2Os
_chemical_formula_sum   'Zr1 Ni2 Os1'
_cell_volume   56.85
_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  Zr3  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.36  0.83  0.43  1.0
  Ni  Ni1  1  0.36  0.17  0.43  1.0
  Os  Os2  1  0.72  0.0  0.0  1.0

data_ZrNi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   106.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2Os
_chemical_formula_sum   'Zr1 Ni2 Os1'
_cell_volume   56.85
_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  0.0  0.0  1.0
  Ni  Ni1  1  0.43  0.36  0.83  1.0
  Ni  Ni2  1  0.43  0.36  0.17  1.0
  Os  Os3  1  0.0  0.72  0.0  1.0

Zr Ni Ni Os