data_[Cs4Zr2Cu4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6391]
_cell_length_b [6.5646]
_cell_length_c [10.2456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Zr(CuTe3)2]
_chemical_formula_sum '[Cs4 Zr2 Cu4 Te12]'
_cell_volume [868.2664]
_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
[
  Cs  Cs0  4  0.1691  0.5000  0.1346  1
  Zr  Zr1  2  0.0000  0.5000  0.5000  1
  Cu  Cu2  4  0.0910  0.0000  0.3382  1
  Te  Te3  8  0.0560  0.2514  0.7479  1
  Te  Te4  4  0.2262  0.5000  0.5112  1
]