data_ZrZnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   3.58
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnPt2
_chemical_formula_sum   'Zr1 Zn1 Pt2'
_cell_volume   66.77
_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  0.96  0.0  0.21  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.38  0.79  0.94  1.0
  Pt  Pt1  1  0.44  0.79  0.47  1.0

data_ZrZnPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   3.58
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnPt2
_chemical_formula_sum   'Zr1 Zn1 Pt2'
_cell_volume   66.77
_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  0.96  0.0  0.21  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.38  0.79  0.94  1.0
  Pt  Pt3  1  0.44  0.79  0.47  1.0

Zr Zn Pt Pt
Zr Zn Pt Pt 0 1 + o o 0 3 + - o 0 3 o - o 1 2 o - - 