data_[Zr4Nb8Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.8234]
_cell_length_b [10.3275]
_cell_length_c [7.1880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr(NbGa)2]
_chemical_formula_sum '[Zr4 Nb8 Ga8]'
_cell_volume [412.0818]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  4  0.0000  0.1035  0.2500  1
  Nb  Nb1  8  0.1419  0.3970  0.9386  1
  Ga  Ga2  4  0.0000  0.1733  0.7500  1
  Ga  Ga3  4  0.0000  0.3714  0.2500  1
]