data_[Ca6Cd14Ga8]
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 [16.9806]
_cell_length_b [4.5521]
_cell_length_c [10.4284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.5324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3Cd7Ga4]
_chemical_formula_sum '[Ca6 Cd14 Ga8]'
_cell_volume [647.7100]
_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  0.2005  0.5000  0.2077  1
  Ca  Ca1  2  0.0000  0.0000  0.5000  1
  Cd  Cd2  4  0.0081  0.5000  0.8096  1
  Cd  Cd3  4  0.1560  0.0000  0.9251  1
  Cd  Cd4  4  0.1643  0.5000  0.5199  1
  Cd  Cd5  2  0.0000  0.0000  0.0000  1
  Ga  Ga6  4  0.1323  0.0000  0.3443  1
  Ga  Ga7  4  0.1596  0.5000  0.7747  1
]