data_[Be2Cd4Co2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cd  1.6900  1.5500  1.0900
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9607]
_cell_length_b [2.8286]
_cell_length_c [4.9781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BeCd2Co]
_chemical_formula_sum '[Be2 Cd4 Co2]'
_cell_volume [123.6669]
_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  0.0000  0.5000  0.0000  1
  Cd  Cd1  4  0.2444  0.0000  0.2469  1
  Co  Co2  2  0.0000  0.0000  0.5000  1
]