data_[Ac3Pr3Sm6]
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
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7610]
_cell_length_b [3.7610]
_cell_length_c [36.3663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AcPrSm2]
_chemical_formula_sum '[Ac3 Pr3 Sm6]'
_cell_volume [445.4921]
_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  0.4998  1
  Pr  Pr1  3  0.0000  0.0000  0.3334  1
  Sm  Sm2  3  0.0000  0.0000  0.7475  1
  Sm  Sm3  3  0.0000  0.0000  0.9193  1
]