data_[Ac8Pm4Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2123]
_cell_length_b [7.5533]
_cell_length_c [7.4539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ac2PmEr3]
_chemical_formula_sum '[Ac8 Pm4 Er12]'
_cell_volume [888.3786]
_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  8  0.1833  0.4958  0.5922  1
  Pm  Pm1  4  0.0000  0.2900  0.2500  1
  Er  Er2  8  0.1148  0.0016  0.0572  1
  Er  Er3  4  0.0000  0.2859  0.7500  1
]