data_[Ac6Er2Th4Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9770]
_cell_length_b [13.8325]
_cell_length_c [8.0448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3Er(ThSb3)2]
_chemical_formula_sum '[Ac6 Er2 Th4 Sb12]'
_cell_volume [837.6795]
_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
[
  Ac  Ac0  4  0.0000  0.1684  0.5000  1
  Ac  Ac1  2  0.0000  0.5000  0.5000  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  Th  Th3  4  0.0000  0.3340  0.0000  1
  Sb  Sb4  8  0.2403  0.8357  0.2288  1
  Sb  Sb5  4  0.2489  0.5000  0.2312  1
]