data_[Tb6Sm4P8]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3245]
_cell_length_b [4.0254]
_cell_length_c [9.8620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3(SmP2)2]
_chemical_formula_sum '[Tb6 Sm4 P8]'
_cell_volume [461.8121]
_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  0.2040  0.0000  0.8089  1
  Tb  Tb1  2  0.0000  0.0000  0.0000  1
  Sm  Sm2  4  0.1018  0.5000  0.3947  1
  P  P3  4  0.1009  0.5000  0.9001  1
  P  P4  4  0.2016  0.0000  0.3004  1
]