data_[Ce8Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6925]
_cell_length_b [10.0918]
_cell_length_c [5.7850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Ga]
_chemical_formula_sum '[Ce8 Ga4]'
_cell_volume [301.3024]
_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  0.3496  0.5000  1.0
  Ce  Ce1  4  0.1679  0.0000  0.7512  1.0
  Ga  Ga2  4  0.0000  0.2355  0.0000  1.0
]