data_[Ca1Ac14Dy1]
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
  Dy  1.2200  1.7500  1.1310
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.9261]
_cell_length_b [7.9261]
_cell_length_c [11.1952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CaAc14Dy]
_chemical_formula_sum '[Ca1 Ac14 Dy1]'
_cell_volume [703.3117]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Ac  Ac1  8  0.2534  0.2534  0.2474  1
  Ac  Ac2  2  0.0000  0.5000  0.0000  1
  Ac  Ac3  2  0.0000  0.5000  0.5000  1
  Ac  Ac4  1  0.0000  0.0000  0.5000  1
  Ac  Ac5  1  0.5000  0.5000  0.5000  1
  Dy  Dy6  1  0.5000  0.5000  0.0000  1
]