data_[Zn26Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.2373]
_cell_length_b [9.9707]
_cell_length_c [9.9725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Zn13Ga3]
_chemical_formula_sum '[Zn26 Ga6]'
_cell_volume [520.7664]
_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
[
  Zn  Zn0  8  0.2489  0.2491  0.7511  1.0
  Zn  Zn1  4  0.0000  0.2461  0.5019  1.0
  Zn  Zn2  4  0.2498  0.0000  0.5049  1.0
  Zn  Zn3  4  0.5000  0.2452  0.5015  1.0
  Zn  Zn4  2  0.0000  0.0000  0.7415  1.0
  Zn  Zn5  2  0.5000  0.0000  0.2583  1.0
  Zn  Zn6  2  0.5000  0.0000  0.7413  1.0
  Ga  Ga7  4  0.2489  0.0000  0.9915  1.0
  Ga  Ga8  2  0.0000  0.0000  0.2550  1.0
]