data_ZrOs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   2.78
_cell_angle_alpha   103.24
_cell_angle_beta   103.24
_cell_angle_gamma   120.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOs2Pt
_chemical_formula_sum   'Zr1 Os2 Pt1'
_cell_volume   65.08
_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
  Os  Os0  1  0.74  0.39  0.24  1.0
  Os  Os1  1  0.74  0.61  0.24  1.0
  Pt  Pt2  1  0.75  0.0  0.0  1.0

data_ZrOs2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.9
_cell_length_c   5.51
_cell_angle_alpha   115.55
_cell_angle_beta   103.24
_cell_angle_gamma   93.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOs2Pt
_chemical_formula_sum   'Zr1 Os2 Pt1'
_cell_volume   65.08
_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
  Os  Os1  1  0.62  0.39  0.13  1.0
  Os  Os2  1  0.85  0.61  0.35  1.0
  Pt  Pt3  1  0.0  0.0  0.75  1.0

Zr Os Os Pt
Zr Os Os Pt 0 3 - o o 1 2 o o o 