data_TcSbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   135.49
_cell_angle_beta   135.49
_cell_angle_gamma   64.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSbMo2
_chemical_formula_sum   'Tc1 Sb1 Mo2'
_cell_volume   66.24
_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  0.35  1.0
  Sb  Sb2  1  0.95  0.0  0.17  1.0
  Mo  Mo0  1  0.0  0.95  0.17  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_TcSbMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   5.15
_cell_angle_alpha   112.26
_cell_angle_beta   112.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSbMo2
_chemical_formula_sum   'Tc1 Sb1 Mo2'
_cell_volume   66.24
_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  0.35  0.35  0.35  1.0
  Sb  Sb1  1  0.17  0.22  0.22  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.22  0.17  0.22  1.0

Tc Sb Mo Mo
Tc Sb Mo Mo 0 1 - o o 0 2 o - o 1 2 + - o 1 3 + o o 2 3 o + o 