data_[Ce1Gd1Mg2In2]
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
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.9593]
_cell_length_b [4.9593]
_cell_length_c [7.6008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CeGd(MgIn)2]
_chemical_formula_sum '[Ce1 Gd1 Mg2 In2]'
_cell_volume [161.8963]
_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  0.0000  0.5109  1
  Gd  Gd1  1  0.0000  0.0000  0.0104  1
  Mg  Mg2  1  0.3333  0.6667  0.7481  1
  Mg  Mg3  1  0.6667  0.3333  0.2260  1
  In  In4  1  0.3333  0.6667  0.2782  1
  In  In5  1  0.6667  0.3333  0.7964  1
]