data_[Y4Be2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7413]
_cell_length_b [3.8004]
_cell_length_c [4.3010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1655]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Y2BeSe]
_chemical_formula_sum '[Y4 Be2 Se2]'
_cell_volume [174.5535]
_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  0.2704  0.0000  0.6066  1
  Y  Y1  2  0.4888  0.5000  0.1431  1
  Be  Be2  2  0.0334  0.5000  0.6697  1
  Se  Se3  2  0.2074  0.5000  0.0807  1
]