data_[Sr12N4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.6647]
_cell_length_b [11.9807]
_cell_length_c [7.3065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Sr3NCl]
_chemical_formula_sum '[Sr12 N4 Cl4]'
_cell_volume [613.2096]
_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  0.1223  0.4732  0.4558  1
  Sr  Sr1  4  0.1744  0.1647  0.5024  1
  Sr  Sr2  4  0.4344  0.7075  0.8464  1
  N  N3  4  0.0847  0.3113  0.2149  1
  Cl  Cl4  4  0.3080  0.0821  0.0247  1
]