data_[Na4Tb2Cu2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9976]
_cell_length_b [7.4366]
_cell_length_c [12.7276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2TbCuBr6]
_chemical_formula_sum '[Na4 Tb2 Cu2 Br12]'
_cell_volume [568.9150]
_cell_formula_units_Z [2]
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  4  0.1952  0.0907  0.2376  1.0
  Tb  Tb1  2  0.5000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1134  0.2028  0.9341  1.0
  Br  Br4  4  0.2321  0.6838  0.9291  1.0
  Br  Br5  4  0.4002  0.0447  0.7578  1.0
]