data_[La6In6Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4621]
_cell_length_b [4.6820]
_cell_length_c [5.4293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3In3Pt2]
_chemical_formula_sum '[La6 In6 Pt4]'
_cell_volume [434.1913]
_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  0.1647  0.0000  0.5958  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.1360  0.5000  0.0732  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Pt  Pt4  4  0.2242  0.0000  0.1397  1.0
]