data_[Ba2Sm2Cu2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5250]
_cell_length_b [4.4715]
_cell_length_c [9.9272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaSmCuTe3]
_chemical_formula_sum '[Ba2 Sm2 Cu2 Te6]'
_cell_volume [408.8954]
_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  0.1884  0.2500  0.2452  1.0
  Sm  Sm1  2  0.3253  0.7500  0.8392  1.0
  Cu  Cu2  2  0.0787  0.2500  0.5845  1.0
  Te  Te3  2  0.1037  0.2500  0.8630  1.0
  Te  Te4  2  0.2107  0.7500  0.5196  1.0
  Te  Te5  2  0.4449  0.7500  0.1704  1.0
]