data_Zr2VPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.39
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   102.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VPt
_chemical_formula_sum   'Zr2 V1 Pt1'
_cell_volume   72.81
_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  Zr2  1  1.0  0.2  0.36  1.0
  Zr  Zr3  1  0.68  0.2  0.24  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.84  0.0  0.8  1.0

data_Zr2VPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.39
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   102.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VPt
_chemical_formula_sum   'Zr2 V1 Pt1'
_cell_volume   72.81
_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  0.68  0.2  0.24  1.0
  Zr  Zr1  1  1.0  0.2  0.36  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.84  0.0  0.8  1.0

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