data_Nb2TcMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.53
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   100.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TcMo
_chemical_formula_sum   'Nb2 Tc1 Mo1'
_cell_volume   66.1
_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
  Nb  Nb1  1  0.04  0.26  0.16  1.0
  Nb  Nb2  1  0.85  0.0  0.32  1.0
  Tc  Tc3  1  0.92  0.26  0.59  1.0
  Mo  Mo0  1  0.97  0.0  0.89  1.0

data_Nb2TcMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.53
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   100.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TcMo
_chemical_formula_sum   'Nb2 Tc1 Mo1'
_cell_volume   66.1
_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
  Nb  Nb0  1  0.04  0.26  0.16  1.0
  Nb  Nb1  1  0.85  0.0  0.32  1.0
  Tc  Tc2  1  0.92  0.26  0.59  1.0
  Mo  Mo3  1  0.97  0.0  0.89  1.0

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