data_[Ce4Y4Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2906]
_cell_length_b [25.7666]
_cell_length_c [4.1932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CeYGa3]
_chemical_formula_sum '[Ce4 Y4 Ga12]'
_cell_volume [463.5798]
_cell_formula_units_Z [4]
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
[
  Ce  Ce0  4  0.0000  0.0732  0.2500  1.0
  Y  Y1  4  0.0000  0.2036  0.7500  1.0
  Ga  Ga2  4  0.0000  0.3231  0.7500  1.0
  Ga  Ga3  4  0.0000  0.3798  0.2500  1.0
  Ga  Ga4  4  0.0000  0.4757  0.2500  1.0
]