data_Ta3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   9.54
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Os
_chemical_formula_sum   'Ta12 Os4'
_cell_volume   281.29
_cell_formula_units_Z   4
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  Ta4  1  0.03  0.38  0.7  1.0
  Ta  Ta5  1  0.24  0.21  1.0  1.0
  Ta  Ta6  1  0.24  0.56  1.0  1.0
  Ta  Ta7  1  0.47  0.98  0.72  1.0
  Ta  Ta8  1  0.47  0.33  0.72  1.0
  Ta  Ta9  1  0.68  0.15  0.98  1.0
  Ta  Ta10  1  0.74  0.38  0.46  1.0
  Ta  Ta11  1  0.95  0.21  0.72  1.0
  Ta  Ta12  1  0.95  0.56  0.72  1.0
  Ta  Ta13  1  0.18  0.98  0.44  1.0
  Ta  Ta14  1  0.18  0.33  0.44  1.0
  Ta  Ta15  1  0.39  0.15  0.74  1.0
  Os  Os0  1  0.33  0.15  0.47  1.0
  Os  Os1  1  0.38  0.38  0.75  1.0
  Os  Os2  1  0.04  0.15  0.69  1.0
  Os  Os3  1  0.09  0.38  0.97  1.0

data_Ta3Os
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.42
_cell_length_b   5.44
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ta3Os
_chemical_formula_sum   'Ta12 Os4'
_cell_volume   281.29
_cell_formula_units_Z   4
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
  Ta  Ta0  2  0.03  0.74  0.62  1.0
  Ta  Ta1  2  0.24  0.0  0.44  1.0
  Ta  Ta2  2  0.24  0.0  0.79  1.0
  Ta  Ta3  2  0.32  0.98  0.62  1.0
  Ta  Ta4  2  0.47  0.72  0.21  1.0
  Ta  Ta5  2  0.47  0.72  0.56  1.0
  Os  Os6  2  0.33  0.97  0.38  1.0
  Os  Os7  2  0.38  0.25  0.62  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Os Os Os Os