data_[Tb4Cu6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [21.6478]
_cell_length_b [5.0110]
_cell_length_c [7.6151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Tb2(CuAs)3]
_chemical_formula_sum '[Tb4 Cu6 As6]'
_cell_volume [826.0727]
_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
[
  Tb  Tb0  4  0.1179  0.1324  0.7976  1
  Cu  Cu1  4  0.0920  0.3648  0.4514  1
  Cu  Cu2  2  0.0000  0.0647  0.5717  1
  As  As3  4  0.1536  0.3663  0.1429  1
  As  As4  2  0.0000  0.2637  0.2945  1
]