data_[Ce2Mg4Si2N8]
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
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.9088]
_cell_length_b [5.8335]
_cell_length_c [5.2647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CeMg2SiN4]
_chemical_formula_sum '[Ce2 Mg4 Si2 N8]'
_cell_volume [212.1818]
_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
[
  Ce  Ce0  2  0.0000  0.8567  0.4716  1
  Mg  Mg1  4  0.2459  0.6588  0.9902  1
  Si  Si2  2  0.0000  0.1839  0.0010  1
  N  N3  4  0.2130  0.3145  0.8881  1
  N  N4  2  0.0000  0.2109  0.3348  1
  N  N5  2  0.0000  0.8814  0.9358  1
]