data_[Y8Mg4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8910]
_cell_length_b [3.5599]
_cell_length_c [8.0905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Mg]
_chemical_formula_sum '[Y8 Mg4]'
_cell_volume [359.2504]
_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  0.0240  0.0000  0.7938  1.0
  Y  Y1  4  0.1974  0.5000  0.1432  1.0
  Mg  Mg2  4  0.1411  0.5000  0.5249  1.0
]