data_[Sr6Sm4Tm2Te12]
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
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8032]
_cell_length_b [13.5125]
_cell_length_c [8.0195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Sm2TmTe6]
_chemical_formula_sum '[Sr6 Sm4 Tm2 Te12]'
_cell_volume [800.0081]
_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  0.0000  0.1698  0.5000  1.0
  Sr  Sr1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.0000  0.3350  0.0000  1.0
  Tm  Tm3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2401  0.1629  0.2326  1.0
  Te  Te5  4  0.2462  0.0000  0.7644  1.0
]