data_[Ac1Tb4Y7]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2871]
_cell_length_b [7.2746]
_cell_length_c [8.9515]
_cell_angle_alpha [90.0350]
_cell_angle_beta [103.5835]
_cell_angle_gamma [90.0508]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AcTb4Y7]
_chemical_formula_sum '[Ac1 Tb4 Y7]'
_cell_volume [397.9541]
_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  2  0.2208  0.4994  0.6644  1
  Tb  Tb1  2  0.2787  0.7465  0.3372  1
  Ac  Ac2  1  0.0000  0.0000  0.0000  1
  Y  Y3  2  0.2237  0.9994  0.6615  1
  Y  Y4  2  0.2810  0.2542  0.3373  1
  Y  Y5  2  0.4996  0.7460  0.0010  1
  Y  Y6  1  0.0000  0.5000  0.0000  1
]