data_ZrTePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   4.19
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   108.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTePt2
_chemical_formula_sum   'Zr1 Te1 Pt2'
_cell_volume   81.25
_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  0.76  0.0  0.51  1.0
  Te  Te2  1  0.39  0.1  0.35  1.0
  Pt  Pt0  1  0.91  0.1  0.01  1.0
  Pt  Pt1  1  0.76  0.0  0.5  1.0

data_ZrTePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.19
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   108.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTePt2
_chemical_formula_sum   'Zr1 Te1 Pt2'
_cell_volume   81.25
_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  0.76  0.0  0.51  1.0
  Te  Te1  1  0.39  0.1  0.35  1.0
  Pt  Pt2  1  0.76  0.0  0.5  1.0
  Pt  Pt3  1  0.91  0.1  0.01  1.0

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