data_[Mg21In36Sn3]
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 [R-3]
_cell_length_a [13.4298]
_cell_length_b [13.4298]
_cell_length_c [9.7647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mg7In12Sn]
_chemical_formula_sum '[Mg21 In36 Sn3]'
_cell_volume [1525.2112]
_cell_formula_units_Z [3]
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  18  0.0622  0.8159  0.9225  1.0
  Mg  Mg1  3  0.0000  0.0000  0.5000  1.0
  In  In2  18  0.0440  0.8410  0.2507  1.0
  In  In3  18  0.0447  0.8004  0.5822  1.0
  Sn  Sn4  3  0.0000  0.0000  0.0000  1.0
]