data_[La12As4Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
  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 [19.1401]
_cell_length_b [4.4149]
_cell_length_c [8.7997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6As2PbSe3]
_chemical_formula_sum '[La12 As4 Pb2 Se6]'
_cell_volume [724.9941]
_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  0.0028  0.0000  0.2606  1.0
  La  La1  4  0.1692  0.5000  0.5785  1.0
  La  La2  4  0.1705  0.5000  0.0920  1.0
  As  As3  4  0.1683  0.0000  0.3358  1.0
  Pb  Pb4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1656  0.0000  0.8318  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]