data_MgTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27
_cell_length_b   7.27
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   157.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc2
_chemical_formula_sum   'Mg2 Tc4'
_cell_volume   91.79
_cell_formula_units_Z   2
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  0.41  0.57  0.14  1.0
  Mg  Mg1  1  0.41  0.43  0.43  1.0
  Tc  Tc2  1  0.41  0.84  0.14  1.0
  Tc  Tc3  1  0.41  0.94  0.14  1.0
  Tc  Tc4  1  0.41  0.16  0.43  1.0
  Tc  Tc5  1  0.41  0.06  0.43  1.0

data_MgTc2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.82
_cell_length_b   4.57
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   101.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MgTc2
_chemical_formula_sum   'Mg2 Tc4'
_cell_volume   91.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.43  0.36  0.93  1.0
  Tc  Tc1  2  0.06  0.36  0.56  1.0
  Tc  Tc2  2  0.16  0.36  0.66  1.0

Mg Mg Tc Tc Tc Tc