data_[Ac2Y8Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.1730]
_cell_length_b [8.7198]
_cell_length_c [8.9371]
_cell_angle_alpha [114.9358]
_cell_angle_beta [101.1500]
_cell_angle_gamma [101.6010]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ac(Y2Er)2]
_chemical_formula_sum '[Ac2 Y8 Er4]'
_cell_volume [471.5516]
_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  1  0.2206  0.6807  0.4519  1
  Ac  Ac1  1  0.9187  0.0006  0.8893  1
  Y  Y2  1  0.0282  0.5631  0.7785  1
  Y  Y3  1  0.3083  0.4144  0.0375  1
  Y  Y4  1  0.3328  0.2395  0.3164  1
  Y  Y5  1  0.4282  0.0174  0.9098  1
  Y  Y6  1  0.5294  0.5643  0.7745  1
  Y  Y7  1  0.6253  0.1291  0.6023  1
  Y  Y8  1  0.8275  0.2441  0.3169  1
  Y  Y9  1  0.9424  0.8366  0.1833  1
  Er  Er10  1  0.1326  0.1420  0.6067  1
  Er  Er11  1  0.4430  0.8348  0.1721  1
  Er  Er12  1  0.7119  0.6692  0.4270  1
  Er  Er13  1  0.8012  0.4142  0.0339  1
]