data_[Er4Tm4Sc12]
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 [C2/m]
_cell_length_a [10.2166]
_cell_length_b [6.6653]
_cell_length_c [8.3252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErTmSc3]
_chemical_formula_sum '[Er4 Tm4 Sc12]'
_cell_volume [539.3806]
_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  0.1943  0.0000  0.7762  1.0
  Tm  Tm1  4  0.0000  0.2502  0.0000  1.0
  Sc  Sc2  8  0.1005  0.2520  0.4045  1.0
  Sc  Sc3  4  0.1916  0.5000  0.7662  1.0
]