data_[Y2As2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9185]
_cell_length_b [7.0628]
_cell_length_c [7.7797]
_cell_angle_alpha [86.1697]
_cell_angle_beta [87.2355]
_cell_angle_gamma [80.0346]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [YAsSe4]
_chemical_formula_sum '[Y2 As2 Se8]'
_cell_volume [373.3158]
_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
[
  Y  Y0  2  0.2023  0.7011  0.0604  1.0
  As  As1  2  0.3152  0.2633  0.8085  1.0
  Se  Se2  2  0.0670  0.5351  0.7540  1.0
  Se  Se3  2  0.1207  0.0213  0.7821  1.0
  Se  Se4  2  0.3994  0.7632  0.3618  1.0
  Se  Se5  2  0.4002  0.2808  0.0975  1.0
]