data_[Ti2Bi2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [9.3632]
_cell_length_b [3.5089]
_cell_length_c [6.2582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TiBiSe2]
_chemical_formula_sum '[Ti2 Bi2 Se4]'
_cell_volume [199.6536]
_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
[
  Ti  Ti0  2  0.0000  0.2502  0.7500  1.0
  Bi  Bi1  2  0.5000  0.1773  0.2500  1.0
  Se  Se2  4  0.1698  0.2452  0.1425  1.0
]