data_[Y4Bi2P1Se1]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3534]
_cell_length_b [4.2468]
_cell_length_c [7.4746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Y4Bi2PSe]
_chemical_formula_sum '[Y4 Bi2 P1 Se1]'
_cell_volume [220.6604]
_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  2  0.2519  0.0000  0.7265  1.0
  Y  Y1  2  0.2682  0.5000  0.2789  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  1  0.5000  0.5000  0.0000  1.0
  P  P4  1  0.5000  0.0000  0.5000  1.0
  Se  Se5  1  0.0000  0.5000  0.5000  1.0
]