data_[Sr2Sn4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.3703]
_cell_length_b [11.9290]
_cell_length_c [7.9751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [SrSn2Te3]
_chemical_formula_sum '[Sr2 Sn4 Te6]'
_cell_volume [415.7740]
_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  0.0000  0.1277  0.5270  1.0
  Sn  Sn1  2  0.0000  0.1809  0.9862  1.0
  Sn  Sn2  2  0.5000  0.4925  0.0163  1.0
  Te  Te3  2  0.0000  0.3745  0.2190  1.0
  Te  Te4  2  0.5000  0.0596  0.2176  1.0
  Te  Te5  2  0.5000  0.2936  0.7352  1.0
]