data_[La2Mo2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pm]
_cell_length_a [5.8960]
_cell_length_b [3.8981]
_cell_length_c [6.0848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaMoN3]
_chemical_formula_sum '[La2 Mo2 N6]'
_cell_volume [138.8870]
_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
[
  La  La0  1  0.3643  0.5000  0.6401  1.0
  La  La1  1  0.8923  0.5000  0.1199  1.0
  Mo  Mo2  1  0.4177  0.0000  0.1249  1.0
  Mo  Mo3  1  0.8944  0.0000  0.6105  1.0
  N  N4  1  0.1502  0.0000  0.8341  1.0
  N  N5  1  0.2385  0.0000  0.3424  1.0
  N  N6  1  0.4435  0.5000  0.0452  1.0
  N  N7  1  0.6556  0.0000  0.7661  1.0
  N  N8  1  0.7221  0.0000  0.2694  1.0
  N  N9  1  0.9378  0.5000  0.5309  1.0
]