data_[Mg4Ta2In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2435]
_cell_length_b [2.9599]
_cell_length_c [5.5560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg2TaIn]
_chemical_formula_sum '[Mg4 Ta2 In2]'
_cell_volume [163.5696]
_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  0.2545  0.5000  0.1628  1
  Mg  Mg1  2  0.4983  0.5000  0.0898  1
  Ta  Ta2  2  0.0002  0.5000  0.6011  1
  In  In3  2  0.2469  0.0000  0.6462  1
]