data_[Sr1Sn4Te6]
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 [P1]
_cell_length_a [6.5303]
_cell_length_b [6.5628]
_cell_length_c [9.8749]
_cell_angle_alpha [80.4483]
_cell_angle_beta [72.1035]
_cell_angle_gamma [86.8761]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr(Sn2Te3)2]
_chemical_formula_sum '[Sr1 Sn4 Te6]'
_cell_volume [397.1472]
_cell_formula_units_Z [1]
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  1  0.8130  0.9295  0.0118  1
  Sn  Sn1  1  0.1490  0.0832  0.3041  1
  Sn  Sn2  1  0.4661  0.9633  0.6740  1
  Sn  Sn3  1  0.6289  0.5489  0.3357  1
  Sn  Sn4  1  0.9649  0.4624  0.6718  1
  Te  Te5  1  0.0070  0.0112  0.6550  1
  Te  Te6  1  0.1573  0.6168  0.3400  1
  Te  Te7  1  0.3042  0.8555  0.0379  1
  Te  Te8  1  0.5053  0.5079  0.6502  1
  Te  Te9  1  0.6442  0.0895  0.3459  1
  Te  Te10  1  0.8599  0.4315  0.9734  1
]