data_[Er6Th10Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6329]
_cell_length_b [5.8961]
_cell_length_c [9.8017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3Th5Sc4]
_chemical_formula_sum '[Er6 Th10 Sc8]'
_cell_volume [724.7572]
_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  0.1280  0.5000  0.2599  1
  Er  Er1  2  0.0000  0.0000  0.5000  1
  Th  Th2  4  0.1069  0.0000  0.1084  1
  Th  Th3  4  0.1274  0.5000  0.9095  1
  Th  Th4  2  0.0000  0.5000  0.5000  1
  Sc  Sc5  4  0.1417  0.0000  0.7831  1
  Sc  Sc6  4  0.2494  0.0000  0.4164  1
]