data_[Y4Mg12In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0980]
_cell_length_b [4.7706]
_cell_length_c [7.6598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YMg3In2]
_chemical_formula_sum '[Y4 Mg12 In8]'
_cell_volume [583.6312]
_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
[
  Y  Y0  4  0.1148  0.0000  0.1820  1
  Mg  Mg1  4  0.0706  0.0000  0.6995  1
  Mg  Mg2  4  0.1239  0.5000  0.5014  1
  Mg  Mg3  4  0.1998  0.5000  0.9201  1
  In  In4  4  0.0208  0.5000  0.8356  1
  In  In5  4  0.2395  0.0000  0.6626  1
]