data_[Mg2Ta2Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4396]
_cell_length_b [3.3923]
_cell_length_c [7.4257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgTaAu]
_chemical_formula_sum '[Mg2 Ta2 Au2]'
_cell_volume [109.2832]
_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  2  0.1385  0.2500  0.1707  1
  Ta  Ta1  2  0.2575  0.7500  0.5191  1
  Au  Au2  2  0.3621  0.2500  0.8300  1
]