data_[Sr4C2Br4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9228]
_cell_length_b [4.3407]
_cell_length_c [7.5886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2C(BrN)2]
_chemical_formula_sum '[Sr4 C2 Br4 N4]'
_cell_volume [324.2840]
_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  4  0.1822  0.5000  0.7872  1
  C  C1  2  0.0000  0.0000  0.0000  1
  Br  Br2  4  0.1295  0.5000  0.3513  1
  N  N3  4  0.1151  0.0000  0.9522  1
]