data_[Ac1Pr4Tm15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0446]
_cell_length_b [5.0446]
_cell_length_c [25.0498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [AcPr4Tm15]
_chemical_formula_sum '[Ac1 Pr4 Tm15]'
_cell_volume [637.4559]
_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
[
  Ac  Ac0  1  0.0000  0.0000  0.0000  1
  Pr  Pr1  2  0.0000  0.0000  0.2018  1
  Pr  Pr2  2  0.0000  0.0000  0.4008  1
  Tm  Tm3  4  0.0000  0.5000  0.1038  1
  Tm  Tm4  4  0.0000  0.5000  0.3017  1
  Tm  Tm5  2  0.0000  0.5000  0.5000  1
  Tm  Tm6  2  0.5000  0.5000  0.2024  1
  Tm  Tm7  2  0.5000  0.5000  0.4008  1
  Tm  Tm8  1  0.5000  0.5000  0.0000  1
]