data_[Be8Si2Ni14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7647]
_cell_length_b [4.1495]
_cell_length_c [6.7536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be4SiNi7]
_chemical_formula_sum '[Be8 Si2 Ni14]'
_cell_volume [246.2716]
_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  4  0.0461  0.5000  0.7100  1
  Be  Be1  4  0.1909  0.5000  0.3600  1
  Si  Si2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  4  0.0691  0.0000  0.4040  1
  Ni  Ni4  4  0.2167  0.0000  0.8800  1
  Ni  Ni5  4  0.2412  0.5000  0.7082  1
  Ni  Ni6  2  0.0000  0.5000  0.0000  1
]