data_[Ca24Sn8Br4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3477]
_cell_length_b [10.3477]
_cell_length_c [10.3477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Ca6Sn2BrN]
_chemical_formula_sum '[Ca24 Sn8 Br4 N4]'
_cell_volume [1107.9897]
_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
[
  Ca  Ca0  24  0.0000  0.0000  0.2278  1.0
  Sn  Sn1  8  0.2500  0.2500  0.2500  1.0
  Br  Br2  4  0.0000  0.0000  0.5000  1.0
  N  N3  4  0.0000  0.0000  0.0000  1.0
]