data_[Sr16Cr6N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1023]
_cell_length_b [5.3459]
_cell_length_c [7.6105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Cr3N8]
_chemical_formula_sum '[Sr16 Cr6 N16]'
_cell_volume [744.7370]
_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  4  0.0296  0.0000  0.2700  1.0
  Sr  Sr1  4  0.0974  0.5000  0.9524  1.0
  Sr  Sr2  4  0.1665  0.5000  0.4691  1.0
  Sr  Sr3  4  0.1985  0.0000  0.8014  1.0
  Cr  Cr4  4  0.1870  0.0000  0.2032  1.0
  Cr  Cr5  2  0.0000  0.5000  0.5000  1.0
  N  N6  4  0.0255  0.5000  0.2912  1.0
  N  N7  4  0.1078  0.0000  0.0157  1.0
  N  N8  4  0.1798  0.0000  0.4241  1.0
  N  N9  4  0.2271  0.5000  0.8324  1.0
]