data_[Ce3Mg3Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.8546]
_cell_length_b [7.8546]
_cell_length_c [4.6546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [CeMgSn]
_chemical_formula_sum '[Ce3 Mg3 Sn3]'
_cell_volume [248.6947]
_cell_formula_units_Z [3]
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  3  0.0000  0.4094  0.0000  1.0
  Mg  Mg1  3  0.0000  0.7551  0.5000  1.0
  Sn  Sn2  2  0.3333  0.6667  0.5000  1.0
  Sn  Sn3  1  0.0000  0.0000  0.0000  1.0
]