data_[Y1Bi1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P1]
_cell_length_a [3.8674]
_cell_length_b [7.4833]
_cell_length_c [18.6424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [103.6055]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [YBiSe3]
_chemical_formula_sum '[Y1 Bi1 Se3]'
_cell_volume [524.3848]
_cell_formula_units_Z [1]
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
[
  Y  Y0  1  0.7590  0.3786  0.5005  1
  Bi  Bi1  1  0.4843  0.8167  0.5196  1
  Se  Se2  1  0.1291  0.0922  0.4636  1
  Se  Se3  1  0.3010  0.5007  0.6058  1
  Se  Se4  1  0.3526  0.5801  0.4104  1
]