data_TaTc2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   144.77
_cell_angle_beta   129.55
_cell_angle_gamma   63.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTc2Os
_chemical_formula_sum   'Ta1 Tc2 Os1'
_cell_volume   61.98
_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  Ta1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.22  0.33  1.0
  Tc  Tc3  1  0.57  0.0  0.11  1.0
  Os  Os0  1  0.0  0.0  0.44  1.0

data_TaTc2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.44
_cell_length_c   5.2
_cell_angle_alpha   115.23
_cell_angle_beta   107.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTc2Os
_chemical_formula_sum   'Ta1 Tc2 Os1'
_cell_volume   61.98
_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  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.11  0.54  1.0
  Tc  Tc2  1  0.78  0.11  0.11  1.0
  Os  Os3  1  0.0  0.44  0.44  1.0

Ta Tc Tc Os
Ta Tc Tc Os 0 1 o o o 1 3 o o o 2 3 + o o 