data_[Ba6Sm4U2P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sm  1.1700  1.8500  1.2290
  U  1.3800  1.7500  0.9913
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3468]
_cell_length_b [12.7186]
_cell_length_c [7.7182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Sm2UP6]
_chemical_formula_sum '[Ba6 Sm4 U2 P12]'
_cell_volume [683.9524]
_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
[
  Ba  Ba0  4  0.0000  0.1711  0.5000  1
  Ba  Ba1  2  0.0000  0.5000  0.5000  1
  Sm  Sm2  4  0.0000  0.3340  0.0000  1
  U  U3  2  0.0000  0.0000  0.0000  1
  P  P4  8  0.2228  0.1555  0.2025  1
  P  P5  4  0.2416  0.0000  0.7955  1
]