data_GeRuPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   148.86
_cell_angle_beta   128.84
_cell_angle_gamma   61.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRuPt2
_chemical_formula_sum   'Ge1 Ru1 Pt2'
_cell_volume   60.81
_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
  Ge  Ge0  1  0.0  0.0  0.87  1.0
  Ru  Ru3  1  0.0  0.31  0.26  1.0
  Pt  Pt1  1  0.0  0.31  0.35  1.0
  Pt  Pt2  1  0.0  0.0  0.31  1.0

data_GeRuPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.61
_cell_length_c   5.34
_cell_angle_alpha   115.58
_cell_angle_beta   105.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRuPt2
_chemical_formula_sum   'Ge1 Ru1 Pt2'
_cell_volume   60.81
_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
  Ge  Ge0  1  0.0  0.87  0.87  1.0
  Ru  Ru1  1  0.69  0.96  0.96  1.0
  Pt  Pt2  1  0.0  0.31  0.31  1.0
  Pt  Pt3  1  0.69  0.05  0.05  1.0

Ge Ru Pt Pt