data_[La9B6Pt21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5944]
_cell_length_b [5.5944]
_cell_length_c [23.4913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La3B2Pt7]
_chemical_formula_sum '[La9 B6 Pt21]'
_cell_volume [636.7174]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3553  1.0
  La  La1  3  -0.0000  -0.0000  0.5000  1.0
  B  B2  6  0.0000  0.0000  0.1698  1.0
  Pt  Pt3  18  0.0011  0.5005  0.5653  1.0
  Pt  Pt4  3  0.0000  0.0000  0.0000  1.0
]