data_[Be12Co10Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.6696]
_cell_length_b [11.0230]
_cell_length_c [5.1906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Be6Co5Ni]
_chemical_formula_sum '[Be12 Co10 Ni2]'
_cell_volume [209.9599]
_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  8  0.0000  0.1672  0.2503  1
  Be  Be1  4  0.0000  0.5000  0.2518  1
  Co  Co2  4  0.0000  0.3334  0.5000  1
  Co  Co3  4  0.0000  0.3335  0.0000  1
  Co  Co4  2  0.0000  0.0000  0.5000  1
  Ni  Ni5  2  0.0000  0.0000  0.0000  1
]