data_[Sr10In2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1830]
_cell_length_b [14.1746]
_cell_length_c [8.1782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr5InTe6]
_chemical_formula_sum '[Sr10 In2 Te12]'
_cell_volume [894.1490]
_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  0.1667  0.5000  1
  Sr  Sr1  4  0.0000  0.3333  0.0000  1
  Sr  Sr2  2  0.0000  0.5000  0.5000  1
  In  In3  2  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.2456  0.1630  0.2462  1
  Te  Te5  4  0.2446  0.0000  0.7548  1
]