data_[Ga3Cu3As3]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P3_221]
_cell_length_a [5.4349]
_cell_length_b [5.4349]
_cell_length_c [6.0429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [154]
_chemical_formula_structural [GaCuAs]
_chemical_formula_sum '[Ga3 Cu3 As3]'
_cell_volume [154.5836]
_cell_formula_units_Z [3]
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  3  0.0000  0.4896  0.3333  1
  Cu  Cu1  3  0.0000  0.8105  0.8333  1
  As  As2  3  0.0000  0.3287  0.8333  1
]