data_[Li6Y4Bi2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1044]
_cell_length_b [12.3085]
_cell_length_c [6.9506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Y2BiSe6]
_chemical_formula_sum '[Li6 Y4 Bi2 Se12]'
_cell_volume [571.2975]
_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
[
  Li  Li0  4  0.0000  0.1598  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Y  Y2  4  0.0000  0.3326  0.0000  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2443  0.3303  0.7433  1
  Se  Se5  4  0.2457  0.5000  0.2566  1
]