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 [11.6225]
_cell_length_b [14.4781]
_cell_length_c [6.9685]
_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 [1172.6112]
_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  0.1962  0.9693  1
  Bi  Bi1  8  0.1884  0.0947  0.5071  1
  Bi  Bi2  4  0.0000  0.4016  0.6329  1
  Se  Se3  8  0.1600  0.2616  0.8187  1
  Se  Se4  8  0.1606  0.4690  0.3087  1
  Se  Se5  4  0.0000  0.0461  0.8495  1
  Se  Se6  4  0.0000  0.2136  0.2938  1
]