data_LaPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05
_cell_length_b   9.05
_cell_length_c   9.05
_cell_angle_alpha   153.01
_cell_angle_beta   153.01
_cell_angle_gamma   38.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPt3
_chemical_formula_sum   'La2 Pt6'
_cell_volume   152.64
_cell_formula_units_Z   2
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  0.41  1.0
  La  La1  1  0.0  0.0  0.68  1.0
  Pt  Pt2  1  0.0  0.11  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.1  1.0
  Pt  Pt4  1  0.0  0.0  0.99  1.0
  Pt  Pt5  1  0.0  0.11  0.27  1.0
  Pt  Pt6  1  0.11  0.0  0.27  1.0
  Pt  Pt7  1  0.11  0.0  0.0  1.0

data_LaPt3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   109.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaPt3
_chemical_formula_sum   'La4 Pt12'
_cell_volume   305.28
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.18  0.5  0.68  1.0
  La  La1  2  0.41  0.0  0.41  1.0
  Pt  Pt2  4  0.22  0.06  0.16  1.0
  Pt  Pt3  4  0.44  0.56  0.89  1.0
  Pt  Pt4  2  0.1  0.0  0.1  1.0
  Pt  Pt5  2  0.49  0.5  0.99  1.0

La La Pt Pt Pt Pt Pt Pt
La La Pt Pt Pt Pt Pt Pt 0 5 o o o 0 6 o o o 0 1 o o o 1 2 o o + 1 7 o o + 2 7 o o o 2 4 o o - 3 5 o o o 3 6 o o o 3 4 o o - 4 7 o o + 5 6 o o o 