data_[La2P10Pb6]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.9313]
_cell_length_b [8.9313]
_cell_length_c [6.1446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [LaP5Pb3]
_chemical_formula_sum '[La2 P10 Pb6]'
_cell_volume [424.4766]
_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  2  0.0000  0.0000  0.0000  1
  P  P1  6  0.0000  0.2819  0.2500  1
  P  P2  4  0.3333  0.6667  0.0000  1
  Pb  Pb3  6  0.0000  0.3790  0.7500  1
]