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 [4.2016]
_cell_length_b [19.7280]
_cell_length_c [13.4073]
_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 [1111.3128]
_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  0.1175  0.3270  1.0
  Sr  Sr1  4  0.0000  0.1196  0.6928  1.0
  Hf  Hf2  4  0.0000  0.1886  0.0179  1.0
  Cu  Cu3  4  0.0000  0.4227  0.4338  1.0
  Te  Te4  4  0.0000  0.0448  0.0358  1.0
  Te  Te5  4  0.0000  0.2961  0.6672  1.0
  Te  Te6  4  0.0000  0.2989  0.3669  1.0
  Te  Te7  4  0.0000  0.3391  0.0112  1.0
  Te  Te8  4  0.0000  0.4966  0.2715  1.0
]