data_LiOsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.92
_cell_angle_alpha   96.37
_cell_angle_beta   96.37
_cell_angle_gamma   33.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiOsPd2
_chemical_formula_sum   'Li1 Os1 Pd2'
_cell_volume   57.78
_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
  Os  Os1  1  0.17  0.0  0.44  1.0
  Pd  Pd2  1  0.57  0.0  0.25  1.0
  Pd  Pd3  1  0.78  0.0  0.64  1.0

data_LiOsPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.65
_cell_length_c   4.92
_cell_angle_alpha   96.37
_cell_angle_beta   90.0
_cell_angle_gamma   106.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiOsPd2
_chemical_formula_sum   'Li1 Os1 Pd2'
_cell_volume   57.78
_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
  Pd  Pd1  1  0.0  0.22  0.36  1.0
  Pd  Pd2  1  0.0  0.43  0.75  1.0
  Os  Os3  1  0.0  0.83  0.56  1.0

Li Os Pd Pd
Li Os Pd Pd 0 3 - o - 0 1 o o o 0 2 - o o 1 3 - o o 1 2 o o o 2 3 o o o 