data_[La4Sn6Pb6S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.0256]
_cell_length_b [20.7096]
_cell_length_c [11.7665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [La2Sn3(PbS4)3]
_chemical_formula_sum '[La4 Sn6 Pb6 S24]'
_cell_volume [980.9565]
_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  0.5000  0.1052  0.8242  1
  La  La1  2  0.5000  0.4125  0.1533  1
  Sn  Sn2  2  0.0000  0.0886  0.5177  1
  Sn  Sn3  2  0.0000  0.2502  0.0013  1
  Sn  Sn4  2  0.0000  0.4229  0.4949  1
  Pb  Pb5  2  0.5000  0.0875  0.1975  1
  Pb  Pb6  2  0.5000  0.2567  0.4037  1
  Pb  Pb7  2  0.5000  0.3770  0.7715  1
  S  S8  2  0.0000  0.0273  0.7072  1
  S  S9  2  0.0000  0.1258  0.9994  1
  S  S10  2  0.0000  0.1572  0.3377  1
  S  S11  2  0.0000  0.3224  0.6024  1
  S  S12  2  0.0000  0.3562  0.3100  1
  S  S13  2  0.0000  0.3726  0.9792  1
  S  S14  2  0.0000  0.4856  0.6840  1
  S  S15  2  0.5000  0.0191  0.4416  1
  S  S16  2  0.5000  0.1594  0.5954  1
  S  S17  2  0.5000  0.2451  0.8511  1
  S  S18  2  0.5000  0.2566  0.1437  1
  S  S19  2  0.5000  0.4861  0.4334  1
]