data_[La1Ce3Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.4933]
_cell_length_b [5.4933]
_cell_length_c [9.1026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LaCe3Pt8]
_chemical_formula_sum '[La1 Ce3 Pt8]'
_cell_volume [237.8800]
_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  0.0000  0.0000  0.5656  1
  Ce  Ce1  1  0.0000  0.0000  0.9432  1
  Ce  Ce2  1  0.6667  0.3333  0.0576  1
  Ce  Ce3  1  0.6667  0.3333  0.4325  1
  Pt  Pt4  3  0.1662  0.3324  0.2482  1
  Pt  Pt5  3  0.5009  0.0018  0.7523  1
  Pt  Pt6  1  0.3333  0.6667  0.0001  1
  Pt  Pt7  1  0.3333  0.6667  0.4997  1
]