data_[Sm3Y9Mg24]
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 [R3m]
_cell_length_a [6.0467]
_cell_length_b [6.0467]
_cell_length_c [29.7641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SmY3Mg8]
_chemical_formula_sum '[Sm3 Y9 Mg24]'
_cell_volume [942.4450]
_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
[
  Sm  Sm0  3  0.0000  0.0000  0.1250  1.0
  Y  Y1  3  0.0000  0.0000  0.5002  1.0
  Y  Y2  3  0.0000  0.0000  0.6251  1.0
  Y  Y3  3  0.0000  0.0000  0.9998  1.0
  Mg  Mg4  9  0.0008  0.5004  0.5629  1.0
  Mg  Mg5  9  0.1671  0.3342  0.3954  1.0
  Mg  Mg6  3  0.0000  0.0000  0.3125  1.0
  Mg  Mg7  3  0.0000  0.0000  0.8125  1.0
]