data_Mg2CuTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CuTc
_chemical_formula_sum   'Mg2 Cu1 Tc1'
_cell_volume   63.52
_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  Mg1  1  0.0  0.23  0.6  1.0
  Mg  Mg2  1  0.23  0.0  0.6  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.23  0.23  0.0  1.0

data_Mg2CuTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2CuTc
_chemical_formula_sum   'Mg4 Cu2 Tc2'
_cell_volume   127.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.11  0.11  0.6  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.23  0.0  0.0  1.0

Mg Mg Cu Tc
Mg Mg Cu Tc 0 2 o o + 0 1 o o o 0 3 o o + 1 2 o o + 1 3 o o + 2 3 o o o 