data_Tc2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2Mo
_chemical_formula_sum   'Tc4 Mo2'
_cell_volume   91.02
_cell_formula_units_Z   2
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  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.71  1.0
  Tc  Tc4  1  0.0  0.54  0.07  1.0
  Tc  Tc5  1  0.2  0.27  0.36  1.0
  Mo  Mo0  1  0.0  0.54  0.36  1.0
  Mo  Mo1  1  0.2  0.27  0.07  1.0

data_Tc2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2Mo
_chemical_formula_sum   'Tc4 Mo2'
_cell_volume   91.02
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.71  1.0
  Tc  Tc2  1  0.0  0.54  0.07  1.0
  Tc  Tc3  1  0.2  0.27  0.36  1.0
  Mo  Mo4  1  0.0  0.54  0.36  1.0
  Mo  Mo5  1  0.2  0.27  0.07  1.0

Tc Tc Tc Tc Mo Mo
Tc Tc Tc Tc Mo Mo 0 5 o o o 0 1 o o - 2 5 o o o 2 4 o o o 3 4 o o o 3 5 o o o 