data_[Sm1Hf1Pa2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Hf  1.3000  1.5500  0.8500
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7624]
_cell_length_b [3.9465]
_cell_length_c [6.8227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SmHf(PaP2)2]
_chemical_formula_sum '[Sm1 Hf1 Pa2 P4]'
_cell_volume [171.4530]
_cell_formula_units_Z [1]
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
[
  Sm  Sm0  1  0.0000  0.5000  0.5000  1
  Hf  Hf1  1  0.0000  0.0000  0.0000  1
  Pa  Pa2  1  0.5000  0.0000  0.5000  1
  Pa  Pa3  1  0.5000  0.5000  0.0000  1
  P  P4  2  0.2412  0.5000  0.2365  1
  P  P5  2  0.2494  0.0000  0.7615  1
]