data_MgTc2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc2Te
_chemical_formula_sum   'Mg1 Tc2 Te1'
_cell_volume   72.4
_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  0.63  0.0  0.27  1.0
  Tc  Tc2  1  0.63  0.0  0.33  1.0
  Te  Te3  1  0.0  0.0  0.3  1.0

data_MgTc2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc2Te
_chemical_formula_sum   'Mg1 Tc2 Te1'
_cell_volume   72.4
_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  0.63  0.0  0.27  1.0
  Tc  Tc2  1  0.63  0.0  0.33  1.0
  Te  Te3  1  0.0  0.0  0.3  1.0

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