data_Zr2SbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   130.64
_cell_angle_beta   129.04
_cell_angle_gamma   73.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SbPt
_chemical_formula_sum   'Zr2 Sb1 Pt1'
_cell_volume   80.48
_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  0.23  0.06  1.0
  Zr  Zr3  1  0.17  0.0  0.1  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.16  1.0

data_Zr2SbPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.47
_cell_length_c   5.19
_cell_angle_alpha   115.48
_cell_angle_beta   114.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SbPt
_chemical_formula_sum   'Zr2 Sb1 Pt1'
_cell_volume   80.48
_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  0.1  0.93  1.0
  Zr  Zr1  1  0.77  0.83  0.83  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.16  0.16  1.0

Zr Zr Sb Pt
Zr Zr Sb Pt 0 2 o o o 1 2 o o o 2 3 o o o 