data_[Y6Er8Sc2]
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 [Pmn2_1]
_cell_length_a [11.0922]
_cell_length_b [7.1816]
_cell_length_c [6.2214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Y3Er4Sc]
_chemical_formula_sum '[Y6 Er8 Sc2]'
_cell_volume [495.5967]
_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  0.2490  0.3754  0.0199  1.0
  Y  Y1  2  0.0000  0.3753  0.3548  1.0
  Er  Er2  4  0.2453  0.8745  0.0173  1.0
  Er  Er3  2  0.0000  0.1243  0.8472  1.0
  Er  Er4  2  0.0000  0.8755  0.3534  1.0
  Sc  Sc5  2  0.0000  0.6265  0.8548  1.0
]