data_[Y14Er6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.8029]
_cell_length_b [10.8029]
_cell_length_c [6.4181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Y7Er3]
_chemical_formula_sum '[Y14 Er6]'
_cell_volume [648.6598]
_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  6  0.0595  0.5297  0.7883  1
  Y  Y1  6  0.1202  0.2404  0.6148  1
  Y  Y2  2  0.3333  0.6667  0.4824  1
  Er  Er3  6  0.2067  0.4135  0.1334  1
]