data_LiHf2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.72
_cell_angle_alpha   96.48
_cell_angle_beta   96.48
_cell_angle_gamma   35.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf2V
_chemical_formula_sum   'Li1 Hf2 V1'
_cell_volume   76.94
_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  Li2  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.8  0.0  0.55  1.0
  Hf  Hf1  1  0.76  0.0  0.13  1.0
  V  V3  1  0.28  0.0  0.84  1.0

data_LiHf2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.84
_cell_length_c   5.72
_cell_angle_alpha   96.48
_cell_angle_beta   90.0
_cell_angle_gamma   107.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf2V
_chemical_formula_sum   'Li1 Hf2 V1'
_cell_volume   76.94
_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
  Hf  Hf1  1  0.0  0.2  0.45  1.0
  Hf  Hf2  1  0.0  0.24  0.87  1.0
  V  V3  1  0.0  0.72  0.16  1.0

Li Hf Hf V