data_[Be4Ga2Ni16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3497]
_cell_length_b [9.7472]
_cell_length_c [4.0779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be2GaNi8]
_chemical_formula_sum '[Be4 Ga2 Ni16]'
_cell_volume [237.3074]
_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  0.0000  0.3104  0.0000  1
  Ga  Ga1  2  0.0000  0.0000  0.5000  1
  Ni  Ni2  8  0.2059  0.1223  0.0985  1
  Ni  Ni3  4  0.0000  0.2413  0.5000  1
  Ni  Ni4  4  0.1031  0.5000  0.3099  1
]