data_[Tb4Pr6Sm12In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2579]
_cell_length_b [10.8316]
_cell_length_c [11.8200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Pr3Sm6In]
_chemical_formula_sum '[Tb4 Pr6 Sm12 In2]'
_cell_volume [788.7677]
_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  0.3343  0.0000  1.0
  Pr  Pr1  4  0.0000  0.1687  0.5000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  8  0.2434  0.1629  0.2421  1.0
  Sm  Sm4  4  0.2462  0.0000  0.7556  1.0
  In  In5  2  0.0000  0.0000  0.0000  1.0
]