data_[Y10Er10Sc4]
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 [C2/m]
_cell_length_a [11.7861]
_cell_length_b [5.5141]
_cell_length_c [11.8195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y5Er5Sc2]
_chemical_formula_sum '[Y10 Er10 Sc4]'
_cell_volume [731.5988]
_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  4  0.1989  0.0000  0.5453  1.0
  Y  Y1  4  0.2491  0.0000  0.2494  1.0
  Y  Y2  2  0.0000  0.0000  0.0000  1.0
  Er  Er3  4  0.0354  0.5000  0.2156  1.0
  Er  Er4  4  0.2056  0.5000  0.0471  1.0
  Er  Er5  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc6  4  0.0378  0.0000  0.7135  1.0
]