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 [Cmcm]
_cell_length_a [5.6042]
_cell_length_b [14.6417]
_cell_length_c [14.2374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na2TmBr5]
_chemical_formula_sum '[Na8 Tm4 Br20]'
_cell_volume [1168.2546]
_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  0.0000  0.1485  0.5566  1.0
  Tm  Tm1  4  0.0000  0.1809  0.2500  1.0
  Br  Br2  8  0.0000  0.0463  0.1206  1.0
  Br  Br3  8  0.0000  0.3054  0.0993  1.0
  Br  Br4  4  0.0000  0.2888  0.7500  1.0
]