data_LaPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPt3
_chemical_formula_sum   'La2 Pt6'
_cell_volume   154.09
_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  0.49  0.22  1.0
  La  La1  1  0.02  0.75  0.65  1.0
  Pt  Pt2  1  0.38  0.42  0.65  1.0
  Pt  Pt3  1  0.0  0.62  0.65  1.0
  Pt  Pt4  1  0.41  0.81  0.22  1.0
  Pt  Pt5  1  0.62  0.42  0.65  1.0
  Pt  Pt6  1  0.02  0.61  0.22  1.0
  Pt  Pt7  1  0.64  0.81  0.22  1.0

data_LaPt3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.87
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaPt3
_chemical_formula_sum   'La2 Pt6'
_cell_volume   154.09
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.22  0.01  0.63  1.0
  Pt  Pt1  2  0.22  0.37  0.31  1.0
  Pt  Pt2  2  0.22  0.99  0.51  1.0
  Pt  Pt3  2  0.22  0.6  0.31  1.0

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