data_TlOsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.02
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   91.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlOsPd2
_chemical_formula_sum   'Tl1 Os1 Pd2'
_cell_volume   67.23
_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
  Tl  Tl3  1  0.91  0.0  0.96  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.41  0.01  0.35  1.0
  Pd  Pd2  1  0.24  0.01  0.57  1.0

data_TlOsPd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.83
_cell_length_b   4.02
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   91.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TlOsPd2
_chemical_formula_sum   'Tl1 Os1 Pd2'
_cell_volume   67.23
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Tl  Tl0  1  0.91  0.0  0.96  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.24  0.0  0.57  1.0
  Pd  Pd3  1  0.41  0.0  0.35  1.0

Tl Os Pd Pd
Tl Os Pd Pd 0 1 + o + 2 3 o o o 