data_[Cs4Sr4In4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [23.1032]
_cell_length_b [4.7644]
_cell_length_c [9.7945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSrInTe3]
_chemical_formula_sum '[Cs4 Sr4 In4 Te12]'
_cell_volume [1052.4236]
_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
[
  Cs  Cs0  4  0.1546  0.5000  0.9541  1
  Sr  Sr1  4  0.1709  0.5000  0.4441  1
  In  In2  4  0.0188  0.0000  0.3410  1
  Te  Te3  4  0.0379  0.5000  0.1961  1
  Te  Te4  4  0.0990  0.0000  0.6102  1
  Te  Te5  4  0.2202  0.0000  0.2716  1
]