data_[Er8Tm2Sc4]
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 [P1]
_cell_length_a [6.4488]
_cell_length_b [7.8967]
_cell_length_c [8.4184]
_cell_angle_alpha [91.0836]
_cell_angle_beta [99.7913]
_cell_angle_gamma [105.7849]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Er4TmSc2]
_chemical_formula_sum '[Er8 Tm2 Sc4]'
_cell_volume [405.5632]
_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
[
  Er  Er0  1  0.0283  0.9458  0.1208  1.0
  Er  Er1  1  0.1898  0.4789  0.5522  1.0
  Er  Er2  1  0.2417  0.9656  0.5636  1.0
  Er  Er3  1  0.4179  0.3048  0.2717  1.0
  Er  Er4  1  0.5781  0.6012  0.9817  1.0
  Er  Er5  1  0.6819  0.3575  0.6743  1.0
  Er  Er6  1  0.7291  0.8374  0.6875  1.0
  Er  Er7  1  0.9156  0.3780  0.1497  1.0
  Tm  Tm8  1  0.1350  0.2375  0.8564  1.0
  Tm  Tm9  1  0.5226  0.0196  0.9826  1.0
  Sc  Sc10  1  0.1000  0.6615  0.8749  1.0
  Sc  Sc11  1  0.3570  0.7216  0.2673  1.0
  Sc  Sc12  1  0.7767  0.0744  0.3943  1.0
  Sc  Sc13  1  0.8262  0.6662  0.3731  1.0
]