data_LiNiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   140.31
_cell_angle_beta   133.26
_cell_angle_gamma   62.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiSb
_chemical_formula_sum   'Li1 Ni1 Sb1'
_cell_volume   45.95
_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  0.01  1.0
  Ni  Ni1  1  0.0  0.0  0.32  1.0
  Sb  Sb2  1  0.0  0.0  0.59  1.0

data_LiNiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.68
_cell_length_c   4.64
_cell_angle_alpha   113.37
_cell_angle_beta   109.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiSb
_chemical_formula_sum   'Li1 Ni1 Sb1'
_cell_volume   45.95
_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  0.01  0.01  1.0
  Ni  Ni1  1  0.0  0.32  0.32  1.0
  Sb  Sb2  1  0.0  0.59  0.59  1.0

Li Ni Sb