data_[Li1Y2Zn1Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9542]
_cell_length_b [5.6896]
_cell_length_c [6.4168]
_cell_angle_alpha [72.7642]
_cell_angle_beta [71.0677]
_cell_angle_gamma [78.5019]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiY2ZnCu6]
_chemical_formula_sum '[Li1 Y2 Zn1 Cu6]'
_cell_volume [162.3358]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.0000  0.0000  0.5000  1
  Y  Y1  2  0.4638  0.6797  0.1940  1
  Zn  Zn2  1  0.0000  0.0000  0.0000  1
  Cu  Cu3  2  0.0257  0.3669  0.1919  1
  Cu  Cu4  2  0.1586  0.3195  0.5715  1
  Cu  Cu5  2  0.4317  0.8701  0.7017  1
]