data_[Zr2Zn3Ga3]
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 [Pmmm]
_cell_length_a [4.0382]
_cell_length_b [4.0625]
_cell_length_c [8.2740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Zr2(ZnGa)3]
_chemical_formula_sum '[Zr2 Zn3 Ga3]'
_cell_volume [135.7360]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.2459  1.0
  Zn  Zn1  1  0.0000  0.5000  0.0000  1.0
  Zn  Zn2  1  0.0000  0.5000  0.5000  1.0
  Zn  Zn3  1  0.5000  0.0000  0.5000  1.0
  Ga  Ga4  2  0.5000  0.5000  0.2586  1.0
  Ga  Ga5  1  0.5000  0.0000  0.0000  1.0
]