data_[Sr8Hf4Cu4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2357]
_cell_length_b [19.8256]
_cell_length_c [13.2837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2HfCuTe5]
_chemical_formula_sum '[Sr8 Hf4 Cu4 Te20]'
_cell_volume [1115.5001]
_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  0.1177  0.3270  1
  Sr  Sr1  4  0.0000  0.1199  0.6927  1
  Hf  Hf2  4  0.0000  0.1886  0.0181  1
  Cu  Cu3  4  0.0000  0.4230  0.4334  1
  Te  Te4  4  0.0000  0.0455  0.0368  1
  Te  Te5  4  0.0000  0.2967  0.6682  1
  Te  Te6  4  0.0000  0.2994  0.3659  1
  Te  Te7  4  0.0000  0.3392  0.0110  1
  Te  Te8  4  0.0000  0.4968  0.2708  1
]