data_[Er4Tm4Sc16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3636]
_cell_length_b [17.5107]
_cell_length_c [10.7813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ErTmSc4]
_chemical_formula_sum '[Er4 Tm4 Sc16]'
_cell_volume [635.0133]
_cell_formula_units_Z [4]
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
[
  Er  Er0  4  0.0000  0.3370  0.2638  1.0
  Tm  Tm1  4  0.0000  0.2202  0.0201  1.0
  Sc  Sc2  4  0.0000  0.0030  0.2691  1.0
  Sc  Sc3  4  0.0000  0.1074  0.5146  1.0
  Sc  Sc4  4  0.0000  0.3369  0.7730  1.0
  Sc  Sc5  4  0.0000  0.4480  0.5204  1.0
]