data_TcMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   6.64
_cell_angle_alpha   111.04
_cell_angle_beta   111.04
_cell_angle_gamma   33.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMo2
_chemical_formula_sum   'Tc2 Mo4'
_cell_volume   93.13
_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  Tc4  1  0.35  0.0  0.53  1.0
  Tc  Tc5  1  0.55  0.0  0.56  1.0
  Mo  Mo0  1  0.56  0.0  0.98  1.0
  Mo  Mo1  1  0.61  0.0  0.96  1.0
  Mo  Mo2  1  0.67  0.0  0.95  1.0
  Mo  Mo3  1  0.75  0.0  0.5  1.0

data_TcMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   5.23
_cell_length_c   6.64
_cell_angle_alpha   111.04
_cell_angle_beta   90.0
_cell_angle_gamma   106.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMo2
_chemical_formula_sum   'Tc2 Mo4'
_cell_volume   93.13
_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  0.45  0.44  1.0
  Tc  Tc1  1  0.0  0.65  0.47  1.0
  Mo  Mo2  1  0.0  0.25  0.5  1.0
  Mo  Mo3  1  0.0  0.33  0.05  1.0
  Mo  Mo4  1  0.0  0.39  0.04  1.0
  Mo  Mo5  1  0.0  0.44  0.02  1.0

Tc Tc Mo Mo Mo Mo