data_[Y3Ho3Mg51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.2084]
_cell_length_b [10.2084]
_cell_length_c [15.2256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [YHoMg17]
_chemical_formula_sum '[Y3 Ho3 Mg51]'
_cell_volume [1374.0958]
_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
[
  Y  Y0  3  0.0000  0.0000  0.3284  1
  Ho  Ho1  3  0.0000  0.0000  0.6719  1
  Mg  Mg2  18  0.0293  0.3621  0.6667  1
  Mg  Mg3  9  0.0083  0.5041  0.1510  1
  Mg  Mg4  9  0.1671  0.3342  0.8336  1
  Mg  Mg5  9  0.1717  0.3433  0.1822  1
  Mg  Mg6  3  0.0000  0.0000  0.0990  1
  Mg  Mg7  3  0.0000  0.0000  0.9002  1
]