data_[Sr2Ce6Sm4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6864]
_cell_length_b [3.6017]
_cell_length_c [7.2111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrCe3Sm2N6]
_chemical_formula_sum '[Sr2 Ce6 Sm4 N12]'
_cell_volume [397.0155]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.0000  1
  Ce  Ce1  4  0.1674  0.0000  0.8331  1
  Ce  Ce2  2  0.0000  0.5000  0.5000  1
  Sm  Sm3  4  0.1686  0.0000  0.3361  1
  N  N4  4  0.0036  0.0000  0.7231  1
  N  N5  4  0.1665  0.5000  0.5880  1
  N  N6  4  0.1762  0.5000  0.0824  1
]