data_[Mg6Ta4Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.2855]
_cell_length_b [5.2855]
_cell_length_c [8.5634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Mg3Ta2Si]
_chemical_formula_sum '[Mg6 Ta4 Si2]'
_cell_volume [207.1823]
_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  6  0.1703  0.3407  0.2500  1
  Ta  Ta1  4  0.3333  0.6667  0.9330  1
  Si  Si2  2  0.0000  0.0000  0.0000  1
]