data_[Li1Zn2Cu1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.6657]
_cell_length_b [4.2792]
_cell_length_c [4.8791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9784]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiZn2Cu]
_chemical_formula_sum '[Li1 Zn2 Cu1]'
_cell_volume [55.2431]
_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  0.6868  0.5000  0.2302  1.0
  Zn  Zn1  1  0.0807  0.0000  0.0283  1.0
  Zn  Zn2  1  0.1682  0.5000  0.7184  1.0
  Cu  Cu3  1  0.5643  0.0000  0.5231  1.0
]