data_[Sr12As2N4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1239]
_cell_length_b [12.3420]
_cell_length_c [7.5907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6AsN2Cl3]
_chemical_formula_sum '[Sr12 As2 N4 Cl6]'
_cell_volume [633.4118]
_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  0.2490  0.3153  0.8030  1.0
  Sr  Sr1  4  0.1972  0.5000  0.1983  1.0
  As  As2  2  0.0000  0.0000  0.0000  1.0
  N  N3  4  0.0000  0.3333  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1655  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]