data_[Sm6Np2P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Np  1.3600  1.7500  1.0000
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.0457]
_cell_length_b [8.1286]
_cell_length_c [7.0358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Sm3NpP4]
_chemical_formula_sum '[Sm6 Np2 P8]'
_cell_volume [379.7927]
_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
[
  Sm  Sm0  2  0.0000  0.3756  0.7500  1
  Sm  Sm1  2  0.5000  0.1258  0.7500  1
  Sm  Sm2  2  0.5000  0.3760  0.2500  1
  Np  Np3  2  0.0000  0.1249  0.2500  1
  P  P4  4  0.2386  0.1192  0.0014  1
  P  P5  4  0.2458  0.3688  0.4932  1
]