data_MgCd2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.26
_cell_angle_alpha   98.7
_cell_angle_beta   98.7
_cell_angle_gamma   32.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2Tc
_chemical_formula_sum   'Mg1 Cd2 Tc1'
_cell_volume   74.24
_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  Mg2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.27  0.0  0.36  1.0
  Cd  Cd1  1  0.81  0.0  0.84  1.0
  Tc  Tc3  1  0.54  0.0  0.6  1.0

data_MgCd2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.16
_cell_length_c   5.26
_cell_angle_alpha   98.7
_cell_angle_beta   90.0
_cell_angle_gamma   106.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2Tc
_chemical_formula_sum   'Mg1 Cd2 Tc1'
_cell_volume   74.24
_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
  Cd  Cd1  1  0.0  0.19  0.16  1.0
  Cd  Cd2  1  0.0  0.73  0.64  1.0
  Tc  Tc3  1  0.0  0.46  0.4  1.0

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