data_ZrSn2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   137.0
_cell_angle_beta   137.0
_cell_angle_gamma   62.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn2Pt
_chemical_formula_sum   'Zr1 Sn2 Pt1'
_cell_volume   82.41
_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  0.0  0.0  0.82  1.0
  Sn  Sn2  1  0.0  0.07  0.41  1.0
  Pt  Pt0  1  0.07  0.0  0.41  1.0

data_ZrSn2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.64
_cell_angle_alpha   111.5
_cell_angle_beta   111.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn2Pt
_chemical_formula_sum   'Zr1 Sn2 Pt1'
_cell_volume   82.41
_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  0.18  0.0  0.18  1.0
  Sn  Sn2  1  0.66  0.07  0.66  1.0
  Pt  Pt3  1  0.59  0.0  0.66  1.0

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