data_TcSnMo2
_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   143.71
_cell_angle_beta   130.17
_cell_angle_gamma   63.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSnMo2
_chemical_formula_sum   'Tc1 Sn1 Mo2'
_cell_volume   66.31
_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  0.31  1.0
  Sn  Sn2  1  0.65  0.0  0.01  1.0
  Mo  Mo0  1  0.0  0.23  0.02  1.0
  Mo  Mo1  1  0.0  0.0  0.68  1.0

data_TcSnMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.46
_cell_length_c   5.29
_cell_angle_alpha   114.92
_cell_angle_beta   108.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSnMo2
_chemical_formula_sum   'Tc1 Sn1 Mo2'
_cell_volume   66.31
_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  0.0  0.31  0.31  1.0
  Sn  Sn1  1  0.0  0.01  0.36  1.0
  Mo  Mo2  1  0.0  0.68  0.68  1.0
  Mo  Mo3  1  0.77  0.79  0.79  1.0

Tc Sn Mo Mo
Tc Sn Mo Mo 0 1 - o o 2 3 o o - 