data_[Sr8Ta4Mo4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3392]
_cell_length_b [14.9040]
_cell_length_c [11.0695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2TaMoN5]
_chemical_formula_sum '[Sr8 Ta4 Mo4 N20]'
_cell_volume [550.9088]
_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
[
  Sr  Sr0  4  0.0000  0.1105  0.6684  1.0
  Sr  Sr1  4  0.0000  0.1396  0.3233  1.0
  Ta  Ta2  4  0.0000  0.2159  0.0369  1.0
  Mo  Mo3  4  0.0000  0.4445  0.4365  1.0
  N  N4  4  0.0000  0.0362  0.0213  1.0
  N  N5  4  0.0000  0.2909  0.6446  1.0
  N  N6  4  0.0000  0.3220  0.3949  1.0
  N  N7  4  0.0000  0.3385  0.0036  1.0
  N  N8  4  0.0000  0.4985  0.7945  1.0
]