data_[Cs2Y2B2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9251]
_cell_length_b [5.9032]
_cell_length_c [10.1015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsYBSe4]
_chemical_formula_sum '[Cs2 Y2 B2 Se8]'
_cell_volume [402.5626]
_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
[
  Cs  Cs0  2  0.2545  0.7500  0.0374  1.0
  Y  Y1  2  0.2469  0.7500  0.5475  1.0
  B  B2  2  0.2565  0.2500  0.3417  1.0
  Se  Se3  4  0.0224  0.0035  0.3022  1.0
  Se  Se4  2  0.3846  0.2500  0.5460  1.0
  Se  Se5  2  0.4416  0.2500  0.2129  1.0
]