data_[Mg4In4Sn4]
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 [C2/m]
_cell_length_a [11.4866]
_cell_length_b [3.3638]
_cell_length_c [9.0025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgInSn]
_chemical_formula_sum '[Mg4 In4 Sn4]'
_cell_volume [305.1308]
_cell_formula_units_Z [4]
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  0.0050  0.5000  0.7543  1.0
  In  In1  4  0.1612  0.0000  0.5728  1.0
  Sn  Sn2  4  0.1625  0.0000  0.0913  1.0
]