data_[Ga4Cu16Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.2743]
_cell_length_b [15.7552]
_cell_length_c [4.7321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [GaCu4Ge]
_chemical_formula_sum '[Ga4 Cu16 Ge4]'
_cell_volume [318.6678]
_cell_formula_units_Z [4]
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
[
  Ga  Ga0  4  0.0000  0.2500  0.5631  1.0
  Cu  Cu1  8  0.0000  0.0875  0.5640  1.0
  Cu  Cu2  8  0.0000  0.1660  0.0803  1.0
  Ge  Ge3  4  0.0000  0.0000  0.0000  1.0
]