data_[Ba2Nd4Sm6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9015]
_cell_length_b [4.5218]
_cell_length_c [9.1420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNd2(SmTe2)3]
_chemical_formula_sum '[Ba2 Nd4 Sm6 Te12]'
_cell_volume [796.4880]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.0000  1.0
  Nd  Nd1  4  0.1719  0.0000  0.3447  1.0
  Sm  Sm2  4  0.1628  0.0000  0.8205  1.0
  Sm  Sm3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  4  0.0025  0.0000  0.2684  1.0
  Te  Te5  4  0.1638  0.5000  0.5841  1.0
  Te  Te6  4  0.1746  0.5000  0.0827  1.0
]