data_Mg2VTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   4.61
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   102.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VTc
_chemical_formula_sum   'Mg2 V1 Tc1'
_cell_volume   63.88
_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  0.07  0.3  0.31  1.0
  Mg  Mg1  1  0.45  0.3  0.87  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.42  0.0  0.59  1.0

data_Mg2VTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.61
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   102.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VTc
_chemical_formula_sum   'Mg2 V1 Tc1'
_cell_volume   63.88
_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  0.07  0.3  0.31  1.0
  Mg  Mg1  1  0.45  0.3  0.87  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.42  0.0  0.59  1.0

Mg Mg V Tc
Mg Mg V Tc 0 2 o o o 0 1 - o - 0 3 o o o 1 3 o o o 1 2 o o + 1 2 + o + 2 3 - o - 