data_[Mg14In6Sn4]
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 [Cmmm]
_cell_length_a [5.0502]
_cell_length_b [24.2212]
_cell_length_c [4.9996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg7In3Sn2]
_chemical_formula_sum '[Mg14 In6 Sn4]'
_cell_volume [611.5635]
_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  0.0000  0.0750  0.5000  1
  Mg  Mg1  4  0.0000  0.2795  0.0000  1
  Mg  Mg2  4  0.0000  0.4248  0.0000  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  In  In4  4  0.0000  0.3441  0.5000  1
  In  In5  2  0.0000  0.5000  0.5000  1
  Sn  Sn6  4  0.0000  0.1502  0.0000  1
]