data_[Zr2Al2Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.3074]
_cell_length_b [3.0771]
_cell_length_c [7.0700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ZrAlGa]
_chemical_formula_sum '[Zr2 Al2 Ga2]'
_cell_volume [110.8222]
_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
[
  Zr  Zr0  2  0.1123  0.5000  0.8096  1
  Al  Al1  2  0.3812  0.0000  0.1632  1
  Ga  Ga2  2  0.2481  0.0000  0.5015  1
]