data_[Sr6Sm4Th2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1671]
_cell_length_b [4.5081]
_cell_length_c [9.2928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Sm2ThTe6]
_chemical_formula_sum '[Sr6 Sm4 Th2 Te12]'
_cell_volume [814.0389]
_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
[
  Sr  Sr0  4  0.1667  0.0000  0.8291  1
  Sr  Sr1  2  0.0000  0.5000  0.5000  1
  Sm  Sm2  4  0.1629  0.0000  0.3241  1
  Th  Th3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.0012  0.0000  0.2459  1
  Te  Te5  4  0.1651  0.5000  0.0864  1
  Te  Te6  4  0.1712  0.5000  0.5720  1
]