data_[Tb4Tl1Cu3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7238]
_cell_length_b [4.6046]
_cell_length_c [11.0224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tb4TlCu3]
_chemical_formula_sum '[Tb4 Tl1 Cu3]'
_cell_volume [188.9949]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.1631  1.0
  Tb  Tb1  1  0.0000  0.5000  0.8356  1.0
  Tb  Tb2  1  0.5000  0.0000  0.6371  1.0
  Tb  Tb3  1  0.5000  0.5000  0.3725  1.0
  Tl  Tl4  1  0.5000  0.5000  0.0726  1.0
  Cu  Cu5  1  0.0000  0.0000  0.4350  1.0
  Cu  Cu6  1  0.0000  0.5000  0.5700  1.0
  Cu  Cu7  1  0.5000  0.0000  0.9141  1.0
]