data_[La12P4Pb2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0417]
_cell_length_b [4.3628]
_cell_length_c [8.7861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6P2PbSe3]
_chemical_formula_sum '[La12 P4 Pb2 Se6]'
_cell_volume [710.8146]
_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  0.0053  0.0000  0.2631  1.0
  La  La1  4  0.1712  0.5000  0.5744  1.0
  La  La2  4  0.1715  0.5000  0.0991  1.0
  P  P3  4  0.1690  0.0000  0.3369  1.0
  Pb  Pb4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1647  0.0000  0.8316  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]