data_[Zr12Zn4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.0598]
_cell_length_b [4.1481]
_cell_length_c [10.1085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Zr3ZnGa2]
_chemical_formula_sum '[Zr12 Zn4 Ga8]'
_cell_volume [463.7540]
_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  0.0362  0.2500  0.3783  1
  Zr  Zr1  4  0.1411  0.7500  0.9075  1
  Zr  Zr2  4  0.2027  0.2500  0.6751  1
  Zn  Zn3  4  0.1273  0.2500  0.1094  1
  Ga  Ga4  4  0.0158  0.7500  0.1766  1
  Ga  Ga5  4  0.1848  0.7500  0.4650  1
]