data_[Ac4Tb8Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0353]
_cell_length_b [20.1267]
_cell_length_c [11.4818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [AcTb2CuSe5]
_chemical_formula_sum '[Ac4 Tb8 Cu4 Se20]'
_cell_volume [932.5206]
_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
[
  Tb  Tb0  4  0.0000  0.0807  0.6827  1
  Tb  Tb1  4  0.0000  0.1059  0.3093  1
  Ac  Ac2  4  0.0000  0.2022  0.0042  1
  Cu  Cu3  4  0.0000  0.4296  0.4505  1
  Se  Se4  4  0.0000  0.0520  0.0628  1
  Se  Se5  4  0.0000  0.3047  0.7096  1
  Se  Se6  4  0.0000  0.3357  0.3141  1
  Se  Se7  4  0.0000  0.3671  0.0060  1
  Se  Se8  4  0.0000  0.4952  0.7847  1
]