data_[Ca3Ce9Ga24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6064]
_cell_length_b [5.6064]
_cell_length_c [27.6322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CaCe3Ga8]
_chemical_formula_sum '[Ca3 Ce9 Ga24]'
_cell_volume [752.1728]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.8752  1.0
  Ce  Ce1  3  0.0000  0.0000  0.0008  1.0
  Ce  Ce2  3  0.0000  0.0000  0.3744  1.0
  Ce  Ce3  3  0.0000  0.0000  0.4994  1.0
  Ga  Ga4  9  0.1667  0.3334  0.2711  1.0
  Ga  Ga5  9  0.1671  0.3343  0.7707  1.0
  Ga  Ga6  3  0.0000  0.0000  0.1874  1.0
  Ga  Ga7  3  0.0000  0.0000  0.6871  1.0
]