data_LiNb2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   150.03
_cell_angle_beta   127.58
_cell_angle_gamma   61.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2Pt
_chemical_formula_sum   'Li1 Nb2 Pt1'
_cell_volume   65.2
_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  0.9  1.0
  Nb  Nb1  1  0.42  0.0  0.02  1.0
  Nb  Nb2  1  0.0  0.0  0.45  1.0
  Pt  Pt3  1  0.0  0.43  0.08  1.0

data_LiNb2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.86
_cell_length_c   5.5
_cell_angle_alpha   116.21
_cell_angle_beta   104.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2Pt
_chemical_formula_sum   'Li1 Nb2 Pt1'
_cell_volume   65.2
_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  0.1  0.1  0.1  1.0
  Nb  Nb1  1  0.4  0.98  0.4  1.0
  Nb  Nb2  1  0.55  0.55  0.55  1.0
  Pt  Pt3  1  0.92  0.35  0.35  1.0

Li Nb Nb Pt