data_ZrSn2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.39
_cell_angle_alpha   115.66
_cell_angle_beta   115.66
_cell_angle_gamma   33.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn2Pt
_chemical_formula_sum   'Zr1 Sn2 Pt1'
_cell_volume   85.61
_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  Zr3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.77  0.0  0.3  1.0
  Sn  Sn2  1  0.68  0.0  0.51  1.0
  Pt  Pt0  1  0.23  0.0  0.4  1.0

data_ZrSn2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.39
_cell_length_c   5.69
_cell_angle_alpha   115.66
_cell_angle_beta   106.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn2Pt
_chemical_formula_sum   'Zr1 Sn2 Pt1'
_cell_volume   85.61
_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  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.3  0.77  1.0
  Sn  Sn2  1  0.0  0.51  0.68  1.0
  Pt  Pt3  1  0.0  0.4  0.23  1.0

Zr Sn Sn Pt
Zr Sn Sn Pt 0 3 o o o 1 2 o o o 1 3 + o o 2 3 o o o 