data_[Li6Ce6Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3297]
_cell_length_b [4.0398]
_cell_length_c [12.6438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCePt]
_chemical_formula_sum '[Li6 Ce6 Pt6]'
_cell_volume [374.3761]
_cell_formula_units_Z [6]
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
[
  Li  Li0  2  0.0114  0.2500  0.0796  1.0
  Li  Li1  2  0.1230  0.7500  0.5382  1.0
  Li  Li2  2  0.3775  0.2500  0.1988  1.0
  Ce  Ce3  2  0.0565  0.7500  0.2867  1.0
  Ce  Ce4  2  0.3307  0.2500  0.9194  1.0
  Ce  Ce5  2  0.4520  0.2500  0.6259  1.0
  Pt  Pt6  2  0.2400  0.7500  0.7527  1.0
  Pt  Pt7  2  0.2588  0.7500  0.0805  1.0
  Pt  Pt8  2  0.2589  0.2500  0.4151  1.0
]