data_Mg2NbTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   143.92
_cell_angle_beta   126.29
_cell_angle_gamma   66.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbTc
_chemical_formula_sum   'Mg2 Nb1 Tc1'
_cell_volume   73.19
_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
  Mg  Mg0  1  0.0  0.0  0.87  1.0
  Mg  Mg1  1  0.67  0.0  0.28  1.0
  Nb  Nb2  1  0.0  0.0  0.79  1.0
  Tc  Tc3  1  0.0  0.43  0.08  1.0

data_Mg2NbTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.87
_cell_length_c   5.39
_cell_angle_alpha   116.86
_cell_angle_beta   108.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbTc
_chemical_formula_sum   'Mg2 Nb1 Tc1'
_cell_volume   73.19
_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
  Mg  Mg0  1  0.13  0.13  0.13  1.0
  Mg  Mg1  1  0.39  0.72  0.39  1.0
  Nb  Nb2  1  0.21  0.21  0.21  1.0
  Tc  Tc3  1  0.92  0.35  0.35  1.0

Mg Mg Nb Tc