data_[Sr12N4Cl12]
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 [C2/m]
_cell_length_a [8.4158]
_cell_length_b [13.1580]
_cell_length_c [7.5056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3NCl3]
_chemical_formula_sum '[Sr12 N4 Cl12]'
_cell_volume [817.7474]
_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  8  0.1867  0.3591  0.7362  1.0
  Sr  Sr1  4  0.0946  0.0000  0.8157  1.0
  N  N2  4  0.1816  0.0000  0.1370  1.0
  Cl  Cl3  4  0.0000  0.1796  0.5000  1.0
  Cl  Cl4  4  0.0000  0.2609  0.0000  1.0
  Cl  Cl5  4  0.1194  0.5000  0.3602  1.0
]