data_[Li4Mg4Ta2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.9410]
_cell_length_b [7.9410]
_cell_length_c [2.8222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Li2Mg2Ta]
_chemical_formula_sum '[Li4 Mg4 Ta2]'
_cell_volume [177.9678]
_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
[
  Li  Li0  4  0.1210  0.3790  0.0000  1
  Mg  Mg1  4  0.1814  0.6814  0.5000  1
  Ta  Ta2  2  0.0000  0.0000  0.0000  1
]