data_[Ti4Be2Co12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Be  1.5700  1.0500  0.5900
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4981]
_cell_length_b [7.3893]
_cell_length_c [2.5300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2BeCo6]
_chemical_formula_sum '[Ti4 Be2 Co12]'
_cell_volume [209.9263]
_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
[
  Ti  Ti0  4  0.1332  0.5000  0.0122  1
  Be  Be1  2  0.0000  0.0000  0.0000  1
  Co  Co2  8  0.1761  0.1589  0.2221  1
  Co  Co3  4  0.0000  0.2609  0.5000  1
]