data_[Zr24In4Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.6064]
_cell_length_b [10.6064]
_cell_length_c [7.4475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr6InGa3]
_chemical_formula_sum '[Zr24 In4 Ga12]'
_cell_volume [837.8139]
_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  8  0.0000  0.1684  0.0100  1.0
  Zr  Zr1  8  0.1847  0.5000  0.0000  1.0
  Zr  Zr2  8  0.2453  0.2522  0.2500  1.0
  In  In3  4  0.0000  0.3739  0.7500  1.0
  Ga  Ga4  8  0.1226  0.0043  0.7500  1.0
  Ga  Ga5  4  0.0000  0.3731  0.2500  1.0
]