data_[Sm1Ho3Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.5466]
_cell_length_b [5.5466]
_cell_length_c [8.6484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SmHo3Zn8]
_chemical_formula_sum '[Sm1 Ho3 Zn8]'
_cell_volume [230.4187]
_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  1  0.0000  0.0000  0.4459  1.0
  Ho  Ho1  1  0.0000  0.0000  0.0576  1.0
  Ho  Ho2  1  0.6667  0.3333  0.5548  1.0
  Ho  Ho3  1  0.6667  0.3333  0.9398  1.0
  Zn  Zn4  3  0.1653  0.3306  0.7530  1.0
  Zn  Zn5  3  0.5021  0.0043  0.2476  1.0
  Zn  Zn6  1  0.3333  0.6667  0.0005  1.0
  Zn  Zn7  1  0.3333  0.6667  0.4992  1.0
]