data_[Rb4Ca4Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.3671]
_cell_length_b [7.4823]
_cell_length_c [10.5856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4822]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbCaBr3]
_chemical_formula_sum '[Rb4 Ca4 Br12]'
_cell_volume [753.1228]
_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
[
  Rb  Rb0  4  0.3842  0.7372  0.8642  1.0
  Ca  Ca1  4  0.0893  0.2402  0.1172  1.0
  Br  Br2  4  0.0693  0.0644  0.3637  1.0
  Br  Br3  4  0.1863  0.5858  0.5364  1.0
  Br  Br4  4  0.3765  0.1874  0.7898  1.0
]