data_MgTc4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   7.07
_cell_angle_alpha   157.36
_cell_angle_beta   146.51
_cell_angle_gamma   40.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc4
_chemical_formula_sum   'Mg1 Tc4'
_cell_volume   74.99
_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  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.28  1.0
  Tc  Tc2  1  0.0  0.0  0.54  1.0
  Tc  Tc3  1  0.0  0.0  0.71  1.0
  Tc  Tc4  1  0.0  0.0  0.98  1.0

data_MgTc4
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.07
_cell_length_c   7.07
_cell_angle_alpha   106.74
_cell_angle_beta   101.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc4
_chemical_formula_sum   'Mg1 Tc4'
_cell_volume   74.99
_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  0.0  1.0
  Tc  Tc1  1  0.0  0.28  0.28  1.0
  Tc  Tc2  1  0.0  0.54  0.54  1.0
  Tc  Tc3  1  0.0  0.71  0.71  1.0
  Tc  Tc4  1  0.0  0.98  0.98  1.0

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