data_ZrAg2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.18
_cell_angle_alpha   100.36
_cell_angle_beta   100.36
_cell_angle_gamma   34.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAg2Pt
_chemical_formula_sum   'Zr1 Ag2 Pt1'
_cell_volume   72.78
_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  0.98  0.0  0.42  1.0
  Ag  Ag0  1  0.59  0.0  0.96  1.0
  Ag  Ag1  1  0.59  0.0  0.9  1.0
  Pt  Pt2  1  0.35  0.0  0.42  1.0

data_ZrAg2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.02
_cell_length_c   5.18
_cell_angle_alpha   100.36
_cell_angle_beta   90.0
_cell_angle_gamma   107.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAg2Pt
_chemical_formula_sum   'Zr1 Ag2 Pt1'
_cell_volume   72.78
_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  0.02  0.58  1.0
  Ag  Ag1  1  0.0  0.41  0.1  1.0
  Ag  Ag2  1  0.0  0.41  0.04  1.0
  Pt  Pt3  1  0.0  0.65  0.58  1.0

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