data_[Rb1Ca2Tb1Br8]
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
  Tb  1.1000  1.7500  0.9815
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7798]
_cell_length_b [9.1951]
_cell_length_c [7.0887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbCa2TbBr8]
_chemical_formula_sum '[Rb1 Ca2 Tb1 Br8]'
_cell_volume [441.8836]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Ca  Ca1  2  0.5000  0.2524  0.5000  1.0
  Tb  Tb2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2442  0.2117  0.1664  1.0
  Br  Br4  2  0.2590  0.0000  0.6732  1.0
  Br  Br5  2  0.2717  0.5000  0.6199  1.0
]