data_ZrVPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.97
_cell_angle_alpha   98.73
_cell_angle_beta   98.73
_cell_angle_gamma   34.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVPt2
_chemical_formula_sum   'Zr1 V1 Pt2'
_cell_volume   67.22
_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  0.85  0.0  0.09  1.0
  V  V2  1  0.36  0.0  0.73  1.0
  Pt  Pt0  1  0.38  0.0  0.05  1.0
  Pt  Pt1  1  0.75  0.0  0.49  1.0

data_ZrVPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.93
_cell_length_c   4.97
_cell_angle_alpha   98.73
_cell_angle_beta   90.0
_cell_angle_gamma   107.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVPt2
_chemical_formula_sum   'Zr1 V1 Pt2'
_cell_volume   67.22
_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  0.15  0.91  1.0
  V  V1  1  0.0  0.64  0.27  1.0
  Pt  Pt2  1  0.0  0.25  0.51  1.0
  Pt  Pt3  1  0.0  0.62  0.95  1.0

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