data_[La6P8Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2018]
_cell_length_b [4.2616]
_cell_length_c [24.2676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3(PPt)4]
_chemical_formula_sum '[La6 P8 Pt8]'
_cell_volume [434.5496]
_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  4  0.0000  0.5000  0.3523  1
  La  La1  2  0.0000  0.0000  0.0000  1
  P  P2  4  0.0000  0.0000  0.4517  1
  P  P3  4  0.0000  0.5000  0.1941  1
  Pt  Pt4  4  0.0000  0.0000  0.2512  1
  Pt  Pt5  4  0.0000  0.5000  0.0957  1
]