data_[Ac6Sm4Pa2P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sm  1.1700  1.8500  1.2290
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3148]
_cell_length_b [12.6662]
_cell_length_c [7.3948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3Sm2PaP6]
_chemical_formula_sum '[Ac6 Sm4 Pa2 P12]'
_cell_volume [646.9451]
_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  4  0.0000  0.1692  0.5000  1
  Ac  Ac1  2  0.0000  0.5000  0.5000  1
  Sm  Sm2  4  0.0000  0.3340  0.0000  1
  Pa  Pa3  2  0.0000  0.0000  0.0000  1
  P  P4  8  0.2355  0.1609  0.2244  1
  P  P5  4  0.2457  0.0000  0.7742  1
]