data_InTcOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   146.47
_cell_angle_beta   128.82
_cell_angle_gamma   62.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTcOs2
_chemical_formula_sum   'In1 Tc1 Os2'
_cell_volume   63.11
_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
  In  In0  1  0.0  0.29  0.26  1.0
  Tc  Tc3  1  0.0  0.0  0.52  1.0
  Os  Os1  1  0.0  0.0  0.03  1.0
  Os  Os2  1  0.53  0.0  0.28  1.0

data_InTcOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.57
_cell_length_c   5.29
_cell_angle_alpha   115.59
_cell_angle_beta   106.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTcOs2
_chemical_formula_sum   'In1 Tc1 Os2'
_cell_volume   63.11
_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
  In  In0  1  0.74  0.02  0.02  1.0
  Tc  Tc1  1  0.48  0.48  0.48  1.0
  Os  Os2  1  0.25  0.72  0.25  1.0
  Os  Os3  1  0.97  0.97  0.97  1.0

In Tc Os Os
In Tc Os Os 0 2 o o o 1 3 - o o 2 3 o o o 