data_[Er6Tm12Zr2Sc4]
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
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9522]
_cell_length_b [10.2787]
_cell_length_c [11.3255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3Tm6ZrSc2]
_chemical_formula_sum '[Er6 Tm12 Zr2 Sc4]'
_cell_volume [682.3126]
_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  4  0.0000  0.1670  0.5000  1.0
  Er  Er1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  8  0.2448  0.1645  0.2398  1.0
  Tm  Tm3  4  0.2492  0.0000  0.7607  1.0
  Zr  Zr4  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc5  4  0.0000  0.3333  0.0000  1.0
]