data_MgTc2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   138.53
_cell_angle_beta   138.53
_cell_angle_gamma   60.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc2Pd
_chemical_formula_sum   'Mg1 Tc2 Pd1'
_cell_volume   60.91
_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  Tc2  1  0.0  0.84  0.25  1.0
  Tc  Tc3  1  0.84  0.0  0.25  1.0
  Pd  Pd1  1  0.0  0.0  0.5  1.0

data_MgTc2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   120.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTc2Pd
_chemical_formula_sum   'Mg2 Tc4 Pd2'
_cell_volume   121.81
_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  2  0.0  0.0  0.0  1.0
  Tc  Tc1  4  0.17  0.42  0.59  1.0
  Pd  Pd2  2  0.0  0.5  0.5  1.0

Mg Tc Tc Pd