data_[Sr8Ga4Sn4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4091]
_cell_length_b [20.5219]
_cell_length_c [13.4315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2GaSnTe5]
_chemical_formula_sum '[Sr8 Ga4 Sn4 Te20]'
_cell_volume [1215.3243]
_cell_formula_units_Z [4]
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  0.1098  0.6761  1.0
  Sr  Sr1  4  0.0000  0.1207  0.3066  1.0
  Ga  Ga2  4  0.0000  0.4334  0.4431  1.0
  Sn  Sn3  4  0.0000  0.2192  0.0254  1.0
  Te  Te4  4  0.0000  0.0482  0.0567  1.0
  Te  Te5  4  0.0000  0.2766  0.6831  1.0
  Te  Te6  4  0.0000  0.3113  0.3635  1.0
  Te  Te7  4  0.0000  0.3596  0.9947  1.0
  Te  Te8  4  0.0000  0.4983  0.2748  1.0
]