data_[Cs8Te4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3596]
_cell_length_b [10.7655]
_cell_length_c [8.3781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.1808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2TeAs]
_chemical_formula_sum '[Cs8 Te4 As4]'
_cell_volume [771.1311]
_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  0.0000  0.1930  0.5000  1
  Cs  Cs1  4  0.0000  0.2675  0.0000  1
  Te  Te2  4  0.2466  0.5000  0.9729  1
  As  As3  4  0.0477  0.5000  0.4014  1
]