data_[Ca6Ga8Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [10.6751]
_cell_length_b [4.3647]
_cell_length_c [8.5573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3(Ga2Cu)2]
_chemical_formula_sum '[Ca6 Ga8 Cu4]'
_cell_volume [383.0641]
_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
[
  Ca  Ca0  4  0.1260  0.5000  0.6903  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1057  0.0000  0.4217  1.0
  Ga  Ga3  4  0.2245  0.5000  0.0711  1.0
  Cu  Cu4  4  0.1707  0.5000  0.3322  1.0
]