data_[Sr4Cu8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7555]
_cell_length_b [11.2327]
_cell_length_c [7.4795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr(CuBr3)2]
_chemical_formula_sum '[Sr4 Cu8 Br24]'
_cell_volume [1166.1977]
_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  0.0000  0.1561  0.7500  1.0
  Cu  Cu1  8  0.2143  0.4332  0.7256  1.0
  Br  Br2  8  0.0919  0.3110  0.5262  1.0
  Br  Br3  8  0.1128  0.0652  0.1610  1.0
  Br  Br4  8  0.1877  0.3927  0.0207  1.0
]