data_[Y8Er10Sc6]
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 [15.8462]
_cell_length_b [5.6948]
_cell_length_c [9.0799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y4Er5Sc3]
_chemical_formula_sum '[Y8 Er10 Sc6]'
_cell_volume [727.3357]
_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  0.0816  0.0000  0.9395  1
  Y  Y1  4  0.2152  0.0000  0.3793  1
  Er  Er2  4  0.0735  0.5000  0.2107  1
  Er  Er3  4  0.1736  0.5000  0.8778  1
  Er  Er4  2  0.0000  0.0000  0.5000  1
  Sc  Sc5  4  0.2148  0.0000  0.7365  1
  Sc  Sc6  2  0.0000  0.5000  0.5000  1
]