data_[Y4Cu8Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [21.5177]
_cell_length_b [4.0954]
_cell_length_c [7.6401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YCu2Te3]
_chemical_formula_sum '[Y4 Cu8 Te12]'
_cell_volume [661.8784]
_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
[
  Y  Y0  4  0.1522  0.5000  0.0294  1.0
  Cu  Cu1  4  0.0502  0.0000  0.1427  1.0
  Cu  Cu2  4  0.2121  0.5000  0.4164  1.0
  Te  Te3  4  0.0694  0.0000  0.8145  1.0
  Te  Te4  4  0.0889  0.5000  0.3501  1.0
  Te  Te5  4  0.2479  0.5000  0.7610  1.0
]