data_[Ac2Sm2P4]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2324]
_cell_length_b [4.2324]
_cell_length_c [14.1570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [AcSmP2]
_chemical_formula_sum '[Ac2 Sm2 P4]'
_cell_volume [219.6174]
_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  0.3333  0.6667  0.7500  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  P  P2  4  0.3333  0.6667  0.3848  1
]