data_[Y14Er6Sc2]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.6969]
_cell_length_b [11.0484]
_cell_length_c [11.2478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y7Er3Sc]
_chemical_formula_sum '[Y14 Er6 Sc2]'
_cell_volume [707.9508]
_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  8  0.0000  0.3085  0.2928  1
  Y  Y1  4  0.0000  0.2129  0.0000  1
  Y  Y2  2  0.0000  0.0000  0.5000  1
  Er  Er3  4  0.0000  0.0000  0.2057  1
  Er  Er4  2  0.0000  0.5000  0.5000  1
  Sc  Sc5  2  0.0000  0.5000  0.0000  1
]