data_TaOs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.8
_cell_angle_alpha   100.36
_cell_angle_beta   100.36
_cell_angle_gamma   34.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOs2Pd
_chemical_formula_sum   'Ta1 Os2 Pd1'
_cell_volume   61.99
_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
  Ta  Ta3  1  0.67  0.0  0.51  1.0
  Os  Os0  1  0.01  0.0  0.13  1.0
  Os  Os1  1  0.67  0.0  0.05  1.0
  Pd  Pd2  1  0.15  0.0  0.38  1.0

data_TaOs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.8
_cell_length_c   4.83
_cell_angle_alpha   100.36
_cell_angle_beta   107.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOs2Pd
_chemical_formula_sum   'Ta1 Os2 Pd1'
_cell_volume   61.99
_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
  Ta  Ta0  1  0.0  0.51  0.67  1.0
  Os  Os1  1  0.0  0.05  0.67  1.0
  Os  Os2  1  0.0  0.13  0.01  1.0
  Pd  Pd3  1  0.0  0.38  0.15  1.0

Ta Os Os Pd
Ta Os Os Pd 0 3 o o o 0 3 + o o 0 2 o o o 0 2 o o + 0 0 + - o 0 1 + o o 1 3 o o o 1 2 - o o 