data_[Na6Ce2Mg4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9411]
_cell_length_b [12.0164]
_cell_length_c [7.4443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ce(MgSe3)2]
_chemical_formula_sum '[Na6 Ce2 Mg4 Se12]'
_cell_volume [590.1065]
_cell_formula_units_Z [2]
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
[
  Na  Na0  4  0.0000  0.1645  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Ce  Ce2  2  0.0000  0.0000  0.0000  1
  Mg  Mg3  4  0.0000  0.3336  0.0000  1
  Se  Se4  8  0.2461  0.1713  0.2246  1
  Se  Se5  4  0.2324  0.5000  0.2243  1
]