data_[Sr2Mo2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.6970]
_cell_length_b [6.3928]
_cell_length_c [6.7273]
_cell_angle_alpha [110.3903]
_cell_angle_beta [96.8654]
_cell_angle_gamma [90.5366]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrMoN3]
_chemical_formula_sum '[Sr2 Mo2 N6]'
_cell_volume [147.7402]
_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  1  0.0381  0.9176  0.3577  1.0
  Sr  Sr1  1  0.9651  0.3813  0.8936  1.0
  Mo  Mo2  1  0.4460  0.8939  0.8737  1.0
  Mo  Mo3  1  0.5142  0.4174  0.3689  1.0
  N  N4  1  0.0351  0.4877  0.3129  1.0
  N  N5  1  0.4829  0.7188  0.0317  1.0
  N  N6  1  0.4916  0.1927  0.0562  1.0
  N  N7  1  0.5339  0.2487  0.5316  1.0
  N  N8  1  0.6262  0.7648  0.5719  1.0
  N  N9  1  0.9154  0.8721  0.7322  1.0
]