data_[Mg4Tc4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tc  1.9000  1.3500  0.7417
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8673]
_cell_length_b [4.6294]
_cell_length_c [7.0258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgTcPb]
_chemical_formula_sum '[Mg4 Tc4 Pb4]'
_cell_volume [258.5997]
_cell_formula_units_Z [4]
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  4  0.1117  0.0000  0.8799  1
  Tc  Tc1  4  0.0941  0.5000  0.1773  1
  Pb  Pb2  4  0.1948  0.5000  0.6476  1
]