data_MgTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   7.05
_cell_angle_alpha   109.08
_cell_angle_beta   109.08
_cell_angle_gamma   34.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc
_chemical_formula_sum   'Mg3 Tc3'
_cell_volume   100.64
_cell_formula_units_Z   3
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  0.69  0.0  0.34  1.0
  Mg  Mg1  1  0.72  0.0  0.28  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.79  0.0  0.31  1.0
  Tc  Tc4  1  0.62  0.0  0.43  1.0
  Tc  Tc5  1  0.79  0.0  0.2  1.0

data_MgTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.15
_cell_length_c   7.05
_cell_angle_alpha   109.08
_cell_angle_beta   90.0
_cell_angle_gamma   107.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc
_chemical_formula_sum   'Mg3 Tc3'
_cell_volume   100.64
_cell_formula_units_Z   3
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  0.0  1.0
  Mg  Mg1  1  0.0  0.28  0.72  1.0
  Mg  Mg2  1  0.0  0.31  0.66  1.0
  Tc  Tc3  1  0.0  0.21  0.8  1.0
  Tc  Tc4  1  0.0  0.21  0.69  1.0
  Tc  Tc5  1  0.0  0.38  0.57  1.0

Mg Mg Mg Tc Tc Tc
Mg Mg Mg Tc Tc Tc 0 1 o o o 0 4 o o o 1 3 o o o 1 5 o o o 2 5 - o o 3 5 o o o 