data_[Mg10In4Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.3717]
_cell_length_b [6.5909]
_cell_length_c [8.8002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg5In2Sn]
_chemical_formula_sum '[Mg10 In4 Sn2]'
_cell_volume [369.5660]
_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  8  0.2500  0.2500  0.2500  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  In  In2  2  0.0000  0.0000  0.5000  1
  In  In3  2  0.0000  0.5000  0.0000  1
  Sn  Sn4  2  0.0000  0.5000  0.5000  1
]