data_[Y14Er4Sc2]
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 [Cmmm]
_cell_length_a [6.3928]
_cell_length_b [28.8687]
_cell_length_c [3.4446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y7Er2Sc]
_chemical_formula_sum '[Y14 Er4 Sc2]'
_cell_volume [635.7144]
_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  0.2395  0.0974  0.5000  1
  Y  Y1  4  0.0000  0.3120  0.0000  1
  Y  Y2  2  0.0000  0.5000  0.5000  1
  Er  Er3  4  0.0000  0.2082  0.5000  1
  Sc  Sc4  2  0.0000  0.0000  0.0000  1
]