data_TcNiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   145.8
_cell_angle_beta   131.05
_cell_angle_gamma   61.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNiOs
_chemical_formula_sum   'Tc1 Ni1 Os1'
_cell_volume   39.98
_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
  Tc  Tc2  1  0.0  0.0  0.63  1.0
  Ni  Ni0  1  0.0  0.0  0.01  1.0
  Os  Os1  1  0.0  0.0  0.24  1.0

data_TcNiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.78
_cell_length_c   4.57
_cell_angle_alpha   114.47
_cell_angle_beta   107.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNiOs
_chemical_formula_sum   'Tc1 Ni1 Os1'
_cell_volume   39.98
_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
  Tc  Tc0  1  0.0  0.63  0.63  1.0
  Ni  Ni1  1  0.0  0.01  0.01  1.0
  Os  Os2  1  0.0  0.24  0.24  1.0

Tc Ni Os
Tc Ni Os 0 2 o o o 0 1 o o + 1 2 o o o 