data_[La2Sn4Bi6]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.7556]
_cell_length_b [12.1354]
_cell_length_c [6.9203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [LaSn2Bi3]
_chemical_formula_sum '[La2 Sn4 Bi6]'
_cell_volume [399.3766]
_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  0.1209  0.4895  1.0
  Sn  Sn1  2  0.0000  0.1884  0.9713  1.0
  Sn  Sn2  2  0.5000  0.4594  0.0447  1.0
  Bi  Bi3  2  0.0000  0.3768  0.2860  1.0
  Bi  Bi4  2  0.5000  0.0210  0.2093  1.0
  Bi  Bi5  2  0.5000  0.2894  0.7005  1.0
]