data_[Ac2Pr2Tm28]
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 [Amm2]
_cell_length_a [11.2138]
_cell_length_b [7.2224]
_cell_length_c [12.4611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AcPrTm14]
_chemical_formula_sum '[Ac2 Pr2 Tm28]'
_cell_volume [1009.2240]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.1647  1
  Pr  Pr1  2  0.0000  0.0000  0.6653  1
  Tm  Tm2  8  0.2580  0.2488  0.5826  1
  Tm  Tm3  4  0.0000  0.2490  0.4172  1
  Tm  Tm4  4  0.2524  0.0000  0.8344  1
  Tm  Tm5  4  0.2556  0.0000  0.3352  1
  Tm  Tm6  4  0.5000  0.2497  0.9163  1
  Tm  Tm7  2  0.5000  0.0000  0.1669  1
  Tm  Tm8  2  0.5000  0.0000  0.6667  1
]