data_[Sr2Sb6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.4420]
_cell_length_b [4.2960]
_cell_length_c [13.5371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr(SbTe2)3]
_chemical_formula_sum '[Sr2 Sb6 Te12]'
_cell_volume [716.5787]
_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  2  0.0425  0.7500  0.7148  1
  Sb  Sb1  2  0.1484  0.7500  0.1179  1
  Sb  Sb2  2  0.2855  0.2500  0.5622  1
  Sb  Sb3  2  0.4506  0.7500  0.8540  1
  Te  Te4  2  0.0774  0.2500  0.9179  1
  Te  Te5  2  0.1006  0.7500  0.4880  1
  Te  Te6  2  0.2121  0.2500  0.2820  1
  Te  Te7  2  0.2608  0.2500  0.7635  1
  Te  Te8  2  0.3826  0.7500  0.0550  1
  Te  Te9  2  0.4615  0.7500  0.6348  1
]