data_[Rb1Ca2Tm1Br8]
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
  Tm  1.2500  1.7500  1.0950
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7419]
_cell_length_b [9.1793]
_cell_length_c [7.0500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbCa2TmBr8]
_chemical_formula_sum '[Rb1 Ca2 Tm1 Br8]'
_cell_volume [436.2480]
_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  0.2516  0.5000  1.0
  Tm  Tm2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2410  0.2087  0.1648  1.0
  Br  Br4  2  0.2557  0.0000  0.6763  1.0
  Br  Br5  2  0.2708  0.5000  0.6188  1.0
]