data_[Ac3Ho18Er6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.8319]
_cell_length_b [6.8319]
_cell_length_c [25.1974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ac(Ho3Er)2]
_chemical_formula_sum '[Ac3 Ho18 Er6]'
_cell_volume [1018.5242]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3343  1
  Ho  Ho1  9  0.0036  0.5018  0.5513  1
  Ho  Ho2  9  0.1709  0.3418  0.1166  1
  Er  Er3  3  0.0000  0.0000  0.5735  1
  Er  Er4  3  0.0000  0.0000  0.7542  1
]