data_[Ca2Al4Cd1Ga3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3450]
_cell_length_b [4.3450]
_cell_length_c [11.1743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ca2Al4CdGa3]
_chemical_formula_sum '[Ca2 Al4 Cd1 Ga3]'
_cell_volume [210.9564]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.7527  1
  Al  Al1  2  0.0000  0.5000  0.3582  1
  Al  Al2  1  0.0000  0.0000  0.0000  1
  Al  Al3  1  0.5000  0.5000  0.0000  1
  Cd  Cd4  1  0.5000  0.5000  0.5000  1
  Ga  Ga5  2  0.0000  0.5000  0.1343  1
  Ga  Ga6  1  0.0000  0.0000  0.5000  1
]