data_TcMo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   7.99
_cell_length_c   7.99
_cell_angle_alpha   18.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMo5
_chemical_formula_sum   'Tc1 Mo5'
_cell_volume   95.68
_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  Tc5  1  0.34  0.0  0.69  1.0
  Mo  Mo0  1  0.0  0.0  0.1  1.0
  Mo  Mo1  1  0.0  0.0  0.34  1.0
  Mo  Mo2  1  0.0  0.0  0.57  1.0
  Mo  Mo3  1  0.34  0.0  0.95  1.0
  Mo  Mo4  1  0.34  0.0  0.15  1.0

data_TcMo5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.67
_cell_length_c   7.99
_cell_angle_alpha   90.0
_cell_angle_beta   99.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMo5
_chemical_formula_sum   'Tc1 Mo5'
_cell_volume   95.68
_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  0.31  0.34  0.31  1.0
  Mo  Mo1  1  0.05  0.34  0.05  1.0
  Mo  Mo2  1  0.43  0.0  0.43  1.0
  Mo  Mo3  1  0.66  0.0  0.66  1.0
  Mo  Mo4  1  0.85  0.34  0.85  1.0
  Mo  Mo5  1  0.9  0.0  0.9  1.0

Tc Mo Mo Mo Mo Mo