data_[Ac8Sm12Er4]
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 [C2/m]
_cell_length_a [15.8050]
_cell_length_b [5.2943]
_cell_length_c [11.7477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2Sm3Er]
_chemical_formula_sum '[Ac8 Sm12 Er4]'
_cell_volume [880.7063]
_cell_formula_units_Z [4]
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  0.0355  0.5000  0.8674  1
  Ac  Ac1  4  0.2086  0.0000  0.8679  1
  Sm  Sm2  4  0.0471  0.0000  0.3842  1
  Sm  Sm3  4  0.1243  0.5000  0.6182  1
  Sm  Sm4  4  0.2101  0.5000  0.3802  1
  Er  Er5  4  0.1267  0.0000  0.1320  1
]