data_TcOsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcOsPd2
_chemical_formula_sum   'Tc1 Os1 Pd2'
_cell_volume   59.09
_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
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.0  0.0  0.06  1.0
  Pd  Pd1  1  0.35  0.35  0.09  1.0
  Pd  Pd2  1  0.35  0.35  0.03  1.0

data_TcOsPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcOsPd2
_chemical_formula_sum   'Tc2 Os2 Pd4'
_cell_volume   118.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Tc  Tc0  2  0.0  0.0  0.0  1.0
  Os  Os1  2  0.0  0.0  0.06  1.0
  Pd  Pd2  2  0.35  0.0  0.03  1.0
  Pd  Pd3  2  0.35  0.0  0.09  1.0

Tc Os Pd Pd
Tc Os Pd Pd 0 1 o o o 2 3 o o o 