data_[Be2Co4Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2958]
_cell_length_b [2.5922]
_cell_length_c [3.8839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeCo2Si]
_chemical_formula_sum '[Be2 Co4 Si2]'
_cell_volume [79.4762]
_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  0.2476  0.5000  0.1845  1
  Co  Co1  2  0.0079  0.0000  0.0698  1
  Co  Co2  2  0.2445  0.0000  0.6855  1
  Si  Si3  2  0.5000  0.0000  0.5602  1
]