data_ZrGePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   134.57
_cell_angle_beta   133.35
_cell_angle_gamma   67.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGePt2
_chemical_formula_sum   'Zr1 Ge1 Pt2'
_cell_volume   68.19
_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  0.0  0.0  0.26  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.03  0.16  1.0
  Pt  Pt2  1  0.98  0.0  0.1  1.0

data_ZrGePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.05
_cell_length_c   5.11
_cell_angle_alpha   113.33
_cell_angle_beta   112.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGePt2
_chemical_formula_sum   'Zr1 Ge1 Pt2'
_cell_volume   68.19
_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  0.74  0.74  0.74  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.84  0.87  0.87  1.0
  Pt  Pt3  1  0.87  0.9  0.87  1.0

Zr Ge Pt Pt