data_[Mg6Tc2]
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
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.7694]
_cell_length_b [5.7650]
_cell_length_c [5.1835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Mg3Tc]
_chemical_formula_sum '[Mg6 Tc2]'
_cell_volume [142.5250]
_cell_formula_units_Z [2]
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  0.0000  0.2476  0.1630  1
  Mg  Mg1  2  0.0000  0.5000  0.6402  1
  Tc  Tc2  2  0.0000  0.0000  0.6509  1
]