data_[Na8Tm4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.7643]
_cell_length_b [8.6604]
_cell_length_c [8.2760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Na2TmBr5]
_chemical_formula_sum '[Na8 Tm4 Br20]'
_cell_volume [914.8650]
_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
[
  Na  Na0  8  0.1751  0.0069  0.4713  1
  Tm  Tm1  4  0.0078  0.7500  0.9192  1
  Br  Br2  8  0.0827  0.0460  0.8378  1
  Br  Br3  4  0.0154  0.7500  0.5650  1
  Br  Br4  4  0.1826  0.7500  0.1292  1
  Br  Br5  4  0.2028  0.2500  0.1804  1
]