data_[Sm4Y8Mo4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4238]
_cell_length_b [11.7443]
_cell_length_c [11.8621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SmY2MoN4]
_chemical_formula_sum '[Sm4 Y8 Mo4 N16]'
_cell_volume [476.9717]
_cell_formula_units_Z [4]
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
[
  Sm  Sm0  4  0.0000  0.1026  0.7500  1
  Y  Y1  8  0.0000  0.3696  0.5390  1
  Mo  Mo2  4  0.0000  0.1574  0.2500  1
  N  N3  8  0.0000  0.2633  0.1251  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4458  0.7500  1
]