data_[Sr36As18N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.3625]
_cell_length_b [13.3625]
_cell_length_c [12.8293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sr12As6N]
_chemical_formula_sum '[Sr36 As18 N3]'
_cell_volume [1983.8575]
_cell_formula_units_Z [3]
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  18  0.0345  0.8175  0.4013  1.0
  Sr  Sr1  18  0.0454  0.8528  0.8919  1.0
  As  As2  18  0.0534  0.7835  0.6557  1.0
  N  N3  3  0.0000  0.0000  0.0000  1.0
]