data_[Ba4La8Mo4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6462]
_cell_length_b [12.9448]
_cell_length_c [12.6790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaLa2MoN4]
_chemical_formula_sum '[Ba4 La8 Mo4 N16]'
_cell_volume [598.4440]
_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
[
  Ba  Ba0  4  0.0000  0.0835  0.7500  1
  La  La1  8  0.0000  0.3706  0.5382  1
  Mo  Mo2  4  0.0000  0.1789  0.2500  1
  N  N3  8  0.0000  0.2580  0.1254  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.3934  0.7500  1
]