data_[Si4Bi12Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  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 [11.7253]
_cell_length_b [14.3869]
_cell_length_c [6.9433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Si(BiSe2)3]
_chemical_formula_sum '[Si4 Bi12 Se24]'
_cell_volume [1171.2651]
_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
[
  Si  Si0  4  0.0000  0.1959  0.4684  1.0
  Bi  Bi1  8  0.1888  0.0940  0.0064  1.0
  Bi  Bi2  4  0.0000  0.4014  0.1331  1.0
  Se  Se3  8  0.1579  0.2618  0.3179  1.0
  Se  Se4  8  0.1615  0.4686  0.8103  1.0
  Se  Se5  4  0.0000  0.0453  0.3494  1.0
  Se  Se6  4  0.0000  0.2124  0.7945  1.0
]