data_LiV2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   147.56
_cell_angle_beta   135.67
_cell_angle_gamma   55.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2Zn
_chemical_formula_sum   'Li1 V2 Zn1'
_cell_volume   53.44
_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  0.0  0.0  1.0
  V  V1  1  0.46  0.0  0.35  1.0
  V  V2  1  0.0  0.98  0.27  1.0
  Zn  Zn3  1  0.0  0.0  0.62  1.0

data_LiV2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   3.95
_cell_length_c   5.24
_cell_angle_alpha   112.16
_cell_angle_beta   106.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2Zn
_chemical_formula_sum   'Li1 V2 Zn1'
_cell_volume   53.44
_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  0.0  0.0  1.0
  V  V1  1  0.11  0.65  0.11  1.0
  V  V2  1  0.73  0.71  0.71  1.0
  Zn  Zn3  1  0.38  0.38  0.38  1.0

Li V V Zn