data_[Sr16Cu2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9837]
_cell_length_b [8.9220]
_cell_length_c [7.1258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8CuN2]
_chemical_formula_sum '[Sr16 Cu2 N4]'
_cell_volume [951.3965]
_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  8  0.1008  0.2174  0.7485  1.0
  Sr  Sr1  4  0.1643  0.0000  0.3016  1.0
  Sr  Sr2  4  0.1750  0.5000  0.2457  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0000  1.0
  N  N4  4  0.1750  0.0000  0.6368  1.0
]