data_[Tb4Sm2Sc6P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7687]
_cell_length_b [11.7179]
_cell_length_c [6.7437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Sm(ScP2)3]
_chemical_formula_sum '[Tb4 Sm2 Sc6 P12]'
_cell_volume [504.4179]
_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  0.0000  0.3332  0.0000  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  4  0.0000  0.1661  0.5000  1.0
  Sc  Sc3  2  0.0000  0.5000  0.5000  1.0
  P  P4  8  0.2426  0.3320  0.7318  1.0
  P  P5  4  0.2468  0.0000  0.7319  1.0
]