data_TcBiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   150.43
_cell_angle_beta   129.8
_cell_angle_gamma   59.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBiOs2
_chemical_formula_sum   'Tc1 Bi1 Os2'
_cell_volume   70.4
_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  0.69  1.0
  Bi  Bi0  1  0.0  0.43  0.53  1.0
  Os  Os1  1  0.0  0.0  0.26  1.0
  Os  Os2  1  0.46  0.0  0.45  1.0

data_TcBiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.85
_cell_length_c   5.72
_cell_angle_alpha   115.1
_cell_angle_beta   104.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBiOs2
_chemical_formula_sum   'Tc1 Bi1 Os2'
_cell_volume   70.4
_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  Tc0  1  0.31  0.31  0.31  1.0
  Bi  Bi1  1  0.47  0.89  0.89  1.0
  Os  Os2  1  0.01  0.55  0.01  1.0
  Os  Os3  1  0.74  0.74  0.74  1.0

Tc Bi Os Os
Tc Bi Os Os 0 0 o + + 0 1 o o + 0 1 o - o 0 3 - o o 0 2 o o o 1 2 o o o 1 3 o + + 1 3 o o o 2 3 o o o 