data_Tc2NiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.72
_cell_angle_alpha   99.33
_cell_angle_beta   99.33
_cell_angle_gamma   34.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2NiMo
_chemical_formula_sum   'Tc2 Ni1 Mo1'
_cell_volume   56.41
_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  Tc2  1  0.64  0.0  0.55  1.0
  Tc  Tc3  1  0.39  0.0  0.09  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.01  0.0  0.32  1.0

data_Tc2NiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.62
_cell_length_c   4.72
_cell_angle_alpha   99.33
_cell_angle_beta   90.0
_cell_angle_gamma   107.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2NiMo
_chemical_formula_sum   'Tc2 Ni1 Mo1'
_cell_volume   56.41
_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  0.36  0.45  1.0
  Tc  Tc1  1  0.0  0.61  0.91  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.99  0.68  1.0

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