data_[Be4Si4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.0837]
_cell_length_b [12.5772]
_cell_length_c [3.7066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [BeSiSe]
_chemical_formula_sum '[Be4 Si4 Se4]'
_cell_volume [229.2140]
_cell_formula_units_Z [4]
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
[
  Be  Be0  4  0.4453  0.1724  0.1017  1
  Si  Si1  4  0.2848  0.4448  0.8143  1
  Se  Se2  4  0.1726  0.1745  0.5170  1
]