data_[Ga4Ni14B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4484]
_cell_length_b [4.9104]
_cell_length_c [6.2375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2Ni7B2]
_chemical_formula_sum '[Ga4 Ni14 B4]'
_cell_volume [254.3730]
_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
[
  Ga  Ga0  4  0.1678  0.5000  0.0001  1
  Ni  Ni1  8  0.2110  0.2524  0.6779  1
  Ni  Ni2  4  0.0411  0.5000  0.3218  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  B  B4  4  0.0000  0.1740  0.5000  1
]