data_[Na1Y1Bi2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P2/m]
_cell_length_a [7.6056]
_cell_length_b [4.0937]
_cell_length_c [8.0002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5907]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaY(BiSe2)2]
_chemical_formula_sum '[Na1 Y1 Bi2 Se4]'
_cell_volume [237.4433]
_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
[
  Na  Na0  1  0.0000  0.0000  0.0000  1
  Y  Y1  1  0.5000  0.5000  0.5000  1
  Bi  Bi2  1  0.0000  0.0000  0.5000  1
  Bi  Bi3  1  0.5000  0.5000  0.0000  1
  Se  Se4  2  0.1208  0.5000  0.2921  1
  Se  Se5  2  0.3951  0.0000  0.7148  1
]