data_[Rb3Ca9Cu12Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [14.8048]
_cell_length_b [14.8048]
_cell_length_c [11.1313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [RbCa3(CuBr3)4]
_chemical_formula_sum '[Rb3 Ca9 Cu12 Br36]'
_cell_volume [2112.9071]
_cell_formula_units_Z [3]
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
[
  Rb  Rb0  3  0.0000  0.0000  0.0000  1.0
  Ca  Ca1  9  0.0000  0.5598  0.0000  1.0
  Cu  Cu2  9  0.0000  0.4288  0.5000  1.0
  Cu  Cu3  3  0.0000  0.0000  0.5000  1.0
  Br  Br4  18  0.0434  0.2073  0.1900  1.0
  Br  Br5  9  0.0000  0.5938  0.5000  1.0
  Br  Br6  9  0.0000  0.8405  0.5000  1.0
]