data_[Sm8Y6Mg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.4069]
_cell_length_b [9.4069]
_cell_length_c [6.4644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Sm8Y6Mg]
_chemical_formula_sum '[Sm8 Y6 Mg1]'
_cell_volume [495.3958]
_cell_formula_units_Z [1]
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
[
  Sm  Sm0  6  0.0386  0.7660  0.1774  1
  Sm  Sm1  2  0.3333  0.6667  0.1540  1
  Y  Y2  6  0.0939  0.6483  0.6694  1
  Mg  Mg3  1  0.0000  0.0000  0.5000  1
]