data_[Zn10Ga12]
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 [C2/m]
_cell_length_a [6.2901]
_cell_length_b [10.3288]
_cell_length_c [6.4047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn5Ga6]
_chemical_formula_sum '[Zn10 Ga12]'
_cell_volume [398.7058]
_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  4  0.0000  0.2412  0.5000  1.0
  Zn  Zn1  4  0.0000  0.3672  0.0000  1.0
  Zn  Zn2  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga3  8  0.1705  0.1357  0.1934  1.0
  Ga  Ga4  4  0.1677  0.0000  0.7058  1.0
]