data_[Ca4Ac20La8Pm4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.6918]
_cell_length_b [8.6918]
_cell_length_c [20.2213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [CaAc5La2Pm]
_chemical_formula_sum '[Ca4 Ac20 La8 Pm4]'
_cell_volume [1527.6836]
_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
[
  Ca  Ca0  4  0.0000  0.5000  0.2500  1
  Ac  Ac1  16  0.2307  0.2693  0.6384  1
  La  La2  8  0.1194  0.3806  0.0000  1
  Ac  Ac3  4  0.0000  0.0000  0.0000  1
  Pm  Pm4  4  0.0000  0.0000  0.2500  1
]