data_[Ca4Cd6Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8950]
_cell_length_b [4.5490]
_cell_length_c [7.0318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Cd3Ga2]
_chemical_formula_sum '[Ca4 Cd6 Ga4]'
_cell_volume [340.6534]
_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  0.1213  0.5000  0.3428  1.0
  Cd  Cd1  4  0.1973  0.5000  0.8600  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  4  0.0912  0.0000  0.6579  1.0
]