data_[Ac16Sm6Er2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.4710]
_cell_length_b [12.4868]
_cell_length_c [6.7324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ac8Sm3Er]
_chemical_formula_sum '[Ac16 Sm6 Er2]'
_cell_volume [986.0486]
_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  0.2516  0.2575  0.3443  1
  Ac  Ac1  4  0.4210  0.2496  0.0014  1
  Ac  Ac2  2  0.0810  0.0000  0.3403  1
  Ac  Ac3  2  0.2424  0.0000  0.9938  1
  Ac  Ac4  2  0.2461  0.5000  0.9845  1
  Ac  Ac5  2  0.4224  0.0000  0.6627  1
  Sm  Sm6  4  0.0801  0.2481  0.6622  1
  Sm  Sm7  2  0.0856  0.5000  0.3417  1
  Er  Er8  2  0.4172  0.5000  0.6610  1
]