data_[Tb6Nd4Sm2P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8258]
_cell_length_b [4.0932]
_cell_length_c [8.1698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Nd2SmP6]
_chemical_formula_sum '[Tb6 Nd4 Sm2 P12]'
_cell_volume [580.4275]
_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
[
  Tb  Tb0  4  0.1667  0.0000  0.8336  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd2  4  0.1663  0.0000  0.3328  1.0
  Sm  Sm3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.0020  0.0000  0.7480  1.0
  P  P5  4  0.1648  0.5000  0.5879  1.0
  P  P6  4  0.1675  0.5000  0.0780  1.0
]