data_[Mg2Co2Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2611]
_cell_length_b [4.2611]
_cell_length_c [5.3286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [MgCoTc]
_chemical_formula_sum '[Mg2 Co2 Tc2]'
_cell_volume [83.7878]
_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  1  0.0000  0.0000  0.9369  1
  Mg  Mg1  1  0.6667  0.3333  0.6324  1
  Co  Co2  1  0.3333  0.6667  0.7709  1
  Co  Co3  1  0.6667  0.3333  0.1336  1
  Tc  Tc4  1  0.0000  0.0000  0.4245  1
  Tc  Tc5  1  0.3333  0.6667  0.2837  1
]