data_[La6Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.0516]
_cell_length_b [3.9902]
_cell_length_c [7.7312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaPt]
_chemical_formula_sum '[La6 Pt6]'
_cell_volume [317.2146]
_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
[
  La  La0  2  0.0745  0.0000  0.0033  1.0
  La  La1  2  0.2408  0.0000  0.6429  1.0
  La  La2  2  0.4198  0.0000  0.2999  1.0
  Pt  Pt3  2  0.1901  0.5000  0.3094  1.0
  Pt  Pt4  2  0.2934  0.5000  0.9798  1.0
  Pt  Pt5  2  0.4481  0.5000  0.5981  1.0
]