data_LaGePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   5.81
_cell_angle_alpha   112.48
_cell_angle_beta   112.48
_cell_angle_gamma   58.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGePt2
_chemical_formula_sum   'La1 Ge1 Pt2'
_cell_volume   84.86
_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
  La  La1  1  0.54  0.0  0.61  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  1.0  0.0  0.53  1.0
  Pt  Pt3  1  0.08  0.0  0.69  1.0

data_LaGePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.37
_cell_length_c   5.78
_cell_angle_alpha   68.21
_cell_angle_beta   68.36
_cell_angle_gamma   60.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGePt2
_chemical_formula_sum   'La1 Ge1 Pt2'
_cell_volume   84.86
_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
  La  La0  1  0.0  0.93  0.61  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.39  0.69  1.0
  Pt  Pt3  1  0.0  0.47  0.53  1.0

La Ge Pt Pt