data_ZrInPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   37.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInPt2
_chemical_formula_sum   'Zr1 In1 Pt2'
_cell_volume   77.39
_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  0.34  1.0
  In  In0  1  0.16  0.0  0.33  1.0
  Pt  Pt1  1  0.0  0.0  0.14  1.0
  Pt  Pt2  1  0.16  0.0  0.92  1.0

data_ZrInPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.32
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   108.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInPt2
_chemical_formula_sum   'Zr1 In1 Pt2'
_cell_volume   77.39
_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  0.66  0.0  0.66  1.0
  In  In1  1  0.67  0.16  0.67  1.0
  Pt  Pt2  1  0.08  0.16  0.08  1.0
  Pt  Pt3  1  0.86  0.0  0.86  1.0

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