data_[Li1Sn1Bi2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7203]
_cell_length_b [4.6123]
_cell_length_c [7.7640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiSn(BiTe2)2]
_chemical_formula_sum '[Li1 Sn1 Bi2 Te4]'
_cell_volume [257.4320]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.0000  0.5000  0.5000  1.0
  Sn  Sn1  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi2  1  0.5000  0.0000  0.5000  1.0
  Bi  Bi3  1  0.5000  0.5000  0.0000  1.0
  Te  Te4  2  0.2437  0.0000  0.7476  1.0
  Te  Te5  2  0.2480  0.5000  0.2502  1.0
]