data_[Be2Co2Ni28]
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 [Amm2]
_cell_length_a [8.0747]
_cell_length_b [4.9489]
_cell_length_c [8.5688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BeCoNi14]
_chemical_formula_sum '[Be2 Co2 Ni28]'
_cell_volume [342.4157]
_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  0.5000  0.0000  0.0417  1
  Co  Co1  2  0.5000  0.0000  0.5404  1
  Ni  Ni2  8  0.2561  0.2482  0.1239  1
  Ni  Ni3  4  0.0000  0.2492  0.9584  1
  Ni  Ni4  4  0.2505  0.0000  0.3755  1
  Ni  Ni5  4  0.2540  0.0000  0.8764  1
  Ni  Ni6  4  0.5000  0.2485  0.2930  1
  Ni  Ni7  2  0.0000  0.0000  0.2076  1
  Ni  Ni8  2  0.0000  0.0000  0.7080  1
]