data_[Ac3Pr36Tm21]
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 [R-3]
_cell_length_a [12.4274]
_cell_length_b [12.4274]
_cell_length_c [15.6458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [AcPr12Tm7]
_chemical_formula_sum '[Ac3 Pr36 Tm21]'
_cell_volume [2092.6044]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Pr  Pr1  18  0.0105  0.4352  0.7104  1
  Pr  Pr2  18  0.0538  0.5925  0.0890  1
  Tm  Tm3  18  0.0471  0.1860  0.8008  1
  Tm  Tm4  3  -0.0000  0.0000  0.5000  1
]