data_[Mg4Tc2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9667]
_cell_length_b [2.9819]
_cell_length_c [8.6881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2TcCl]
_chemical_formula_sum '[Mg4 Tc2 Cl2]'
_cell_volume [146.7495]
_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  0.0939  0.0000  0.7581  1
  Tc  Tc1  2  0.0000  0.5000  0.0000  1
  Cl  Cl2  2  0.0000  0.5000  0.5000  1
]