data_[Tb6Sm2Y4As12]
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 [7.1854]
_cell_length_b [12.4433]
_cell_length_c [7.1846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Sm(YAs3)2]
_chemical_formula_sum '[Tb6 Sm2 Y4 As12]'
_cell_volume [605.8023]
_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  0.1660  0.5000  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  2  0.0000  0.0000  0.0000  1.0
  Y  Y3  4  0.0000  0.3331  0.0000  1.0
  As  As4  8  0.2481  0.3319  0.7486  1.0
  As  As5  4  0.2474  0.5000  0.2508  1.0
]