data_[La8Cu4Bi4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1824]
_cell_length_b [17.9786]
_cell_length_c [12.4569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2CuBiSe5]
_chemical_formula_sum '[La8 Cu4 Bi4 Se20]'
_cell_volume [936.6863]
_cell_formula_units_Z [4]
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  0.0000  0.1151  0.6843  1.0
  La  La1  4  0.0000  0.1163  0.3055  1.0
  Cu  Cu2  4  0.0000  0.4977  0.9846  1.0
  Bi  Bi3  4  0.0000  0.1882  0.9992  1.0
  Se  Se4  4  0.0000  0.0361  0.0680  1.0
  Se  Se5  4  0.0000  0.2932  0.6642  1.0
  Se  Se6  4  0.0000  0.2967  0.3299  1.0
  Se  Se7  4  0.0000  0.3555  0.9982  1.0
  Se  Se8  4  0.0000  0.4928  0.2900  1.0
]