data_[Ce3Gd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Gd  1.2000  1.8000  1.0750
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2956]
_cell_length_b [5.4745]
_cell_length_c [6.1896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ce3Gd]
_chemical_formula_sum '[Ce3 Gd1]'
_cell_volume [111.6696]
_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  0.0000  0.5000  0.3015  1
  Ce  Ce1  1  0.5000  0.0000  0.5537  1
  Ce  Ce2  1  0.5000  0.5000  0.7629  1
  Gd  Gd3  1  0.0000  0.0000  0.0486  1
]