data_[Be4Co2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.7050]
_cell_length_b [18.4848]
_cell_length_c [8.3878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Be2CoSe3]
_chemical_formula_sum '[Be4 Co2 Se6]'
_cell_volume [884.4905]
_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
[
  Be  Be0  2  0.3883  0.4371  0.8482  1
  Be  Be1  2  0.8864  0.4380  0.1480  1
  Co  Co2  1  0.0582  0.5000  0.9382  1
  Co  Co3  1  0.5264  0.5000  0.0667  1
  Se  Se4  2  0.2533  0.4057  0.0912  1
  Se  Se5  2  0.7540  0.4068  0.9127  1
  Se  Se6  1  0.2364  0.5000  0.6631  1
  Se  Se7  1  0.7343  0.5000  0.3319  1
]