data_[Tb6Sm4Y2As12]
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
  Y  1.2200  1.8000  1.0400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1383]
_cell_length_b [4.1634]
_cell_length_c [8.3217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Sm2YAs6]
_chemical_formula_sum '[Tb6 Sm4 Y2 As12]'
_cell_volume [611.6770]
_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  0.1669  0.0000  0.8336  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.1661  0.0000  0.3325  1.0
  Y  Y3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.0013  0.0000  0.7512  1.0
  As  As5  4  0.1657  0.5000  0.5859  1.0
  As  As6  4  0.1663  0.5000  0.0798  1.0
]