data_[Mg10In12Sn4]
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 [Pbam]
_cell_length_a [10.6361]
_cell_length_b [13.7816]
_cell_length_c [4.5366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Mg5(In3Sn)2]
_chemical_formula_sum '[Mg10 In12 Sn4]'
_cell_volume [664.9918]
_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  4  0.0677  0.2738  0.5000  1
  Mg  Mg1  4  0.1328  0.9246  0.5000  1
  Mg  Mg2  2  0.0000  0.5000  0.5000  1
  In  In3  4  0.0970  0.0869  0.0000  1
  In  In4  4  0.1549  0.4227  0.0000  1
  In  In5  4  0.2119  0.6298  0.5000  1
  Sn  Sn6  4  0.1280  0.7702  0.0000  1
]