data_[Zn2Ga4Cu12]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1256]
_cell_length_b [3.7758]
_cell_length_c [7.7951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn(GaCu3)2]
_chemical_formula_sum '[Zn2 Ga4 Cu12]'
_cell_volume [229.0108]
_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  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga1  4  0.1744  0.5000  0.7343  1.0
  Cu  Cu2  4  0.0004  0.0000  0.8356  1.0
  Cu  Cu3  4  0.1645  0.5000  0.0548  1.0
  Cu  Cu4  4  0.1651  0.5000  0.3906  1.0
]