data_[Y2Er5Sc2]
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 [P-1]
_cell_length_a [5.9759]
_cell_length_b [6.1413]
_cell_length_c [8.2303]
_cell_angle_alpha [71.5445]
_cell_angle_beta [71.0068]
_cell_angle_gamma [84.0905]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y2Er5Sc2]
_chemical_formula_sum '[Y2 Er5 Sc2]'
_cell_volume [270.9134]
_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
[
  Y  Y0  2  0.4050  0.2144  0.1229  1
  Er  Er1  2  0.1822  0.5762  0.7676  1
  Er  Er2  2  0.2458  0.6665  0.3309  1
  Er  Er3  1  0.0000  0.0000  0.0000  1
  Sc  Sc4  2  0.3009  0.1451  0.5672  1
]