data_MgTcPb2
_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   127.42
_cell_angle_beta   127.42
_cell_angle_gamma   77.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTcPb2
_chemical_formula_sum   'Mg1 Tc1 Pb2'
_cell_volume   86.0
_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  Tc3  1  0.0  0.0  0.05  1.0
  Pb  Pb1  1  0.3  0.0  0.03  1.0
  Pb  Pb2  1  0.0  0.3  0.03  1.0

data_MgTcPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   128.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTcPb2
_chemical_formula_sum   'Mg2 Tc2 Pb4'
_cell_volume   172.01
_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  2  0.0  0.0  0.05  1.0
  Pb  Pb2  4  0.35  0.35  0.72  1.0

Mg Tc Pb Pb
Mg Tc Pb Pb 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 