data_LiY2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   5.09
_cell_angle_alpha   112.74
_cell_angle_beta   112.74
_cell_angle_gamma   34.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Zn
_chemical_formula_sum   'Li1 Y2 Zn1'
_cell_volume   96.32
_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  0.64  0.0  0.32  1.0
  Y  Y1  1  0.05  0.0  0.06  1.0
  Y  Y2  1  0.12  0.0  0.32  1.0
  Zn  Zn3  1  0.54  0.0  0.29  1.0

data_LiY2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.09
_cell_length_c   6.08
_cell_angle_alpha   112.74
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Zn
_chemical_formula_sum   'Li1 Y2 Zn1'
_cell_volume   96.32
_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  0.0  0.32  0.64  1.0
  Y  Y1  1  0.0  0.06  0.05  1.0
  Y  Y2  1  0.0  0.32  0.12  1.0
  Zn  Zn3  1  0.0  0.29  0.54  1.0

Li Y Y Zn