data_[Y6Ho2]
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
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [17.6981]
_cell_length_b [7.0886]
_cell_length_c [6.1388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Y3Ho]
_chemical_formula_sum '[Y6 Ho2]'
_cell_volume [770.1393]
_cell_formula_units_Z [2]
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  2  0.4234  0.3742  0.8605  1
  Y  Y1  2  0.5756  0.3746  0.5268  1
  Y  Y2  2  0.5758  0.1245  0.0281  1
  Ho  Ho3  2  0.4252  0.1242  0.3602  1
]