data_[Ca2Tb10Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.9390]
_cell_length_b [14.8665]
_cell_length_c [6.9702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CaTb5Cu6]
_chemical_formula_sum '[Ca2 Tb10 Cu12]'
_cell_volume [511.8000]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1
  Tb  Tb1  4  0.0000  0.3340  0.5000  1
  Tb  Tb2  4  0.0000  0.3348  0.0000  1
  Tb  Tb3  2  0.0000  0.0000  0.5000  1
  Cu  Cu4  8  0.0000  0.1721  0.2540  1
  Cu  Cu5  4  0.0000  0.5000  0.2646  1
]