data_[Ce1Th1Al1Ga1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4484]
_cell_length_b [3.3423]
_cell_length_c [5.4559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CeThAlGa]
_chemical_formula_sum '[Ce1 Th1 Al1 Ga1]'
_cell_volume [96.7953]
_cell_formula_units_Z [1]
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  1  0.0495  0.0000  0.7677  1
  Th  Th1  1  0.4963  0.0000  0.3204  1
  Al  Al2  1  0.5705  0.5000  0.8388  1
  Ga  Ga3  1  0.9773  0.5000  0.2451  1
]