data_TeOs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   2.93
_cell_angle_alpha   104.48
_cell_angle_beta   104.48
_cell_angle_gamma   122.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeOs2Pd
_chemical_formula_sum   'Te1 Os2 Pd1'
_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
  Te  Te3  1  0.72  0.0  0.0  1.0
  Os  Os0  1  0.6  0.54  0.26  1.0
  Os  Os1  1  0.6  0.46  0.26  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_TeOs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.66
_cell_length_c   5.62
_cell_angle_alpha   114.07
_cell_angle_beta   104.48
_cell_angle_gamma   91.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeOs2Pd
_chemical_formula_sum   'Te1 Os2 Pd1'
_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
  Te  Te0  1  0.0  0.0  0.72  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.71  0.46  0.06  1.0
  Os  Os3  1  0.8  0.54  0.15  1.0

Te Os Os Pd