data_LaRePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   132.85
_cell_angle_beta   132.85
_cell_angle_gamma   68.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRePt2
_chemical_formula_sum   'La1 Re1 Pt2'
_cell_volume   76.27
_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  0.0  0.0  1.0
  Re  Re3  1  0.0  0.1  0.16  1.0
  Pt  Pt1  1  0.1  0.0  0.16  1.0
  Pt  Pt2  1  0.0  0.0  0.33  1.0

data_LaRePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.25
_cell_angle_alpha   113.58
_cell_angle_beta   113.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRePt2
_chemical_formula_sum   'La1 Re1 Pt2'
_cell_volume   76.27
_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  0.0  0.0  1.0
  Re  Re1  1  0.94  0.1  0.94  1.0
  Pt  Pt2  1  0.67  0.0  0.67  1.0
  Pt  Pt3  1  0.84  0.0  0.94  1.0

La Re Pt Pt