data_[Ho3Tm1Mg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.0359]
_cell_length_b [6.0359]
_cell_length_c [9.7292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ho3TmMg8]
_chemical_formula_sum '[Ho3 Tm1 Mg8]'
_cell_volume [306.9648]
_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
[
  Ho  Ho0  1  0.0000  0.0000  0.0643  1.0
  Ho  Ho1  1  0.6667  0.3333  0.5625  1.0
  Ho  Ho2  1  0.6667  0.3333  0.9358  1.0
  Tm  Tm3  1  0.0000  0.0000  0.4372  1.0
  Mg  Mg4  3  0.1622  0.8378  0.7498  1.0
  Mg  Mg5  3  0.5044  0.0088  0.2502  1.0
  Mg  Mg6  1  0.3333  0.6667  0.0001  1.0
  Mg  Mg7  1  0.3333  0.6667  0.4999  1.0
]