data_[Er24Th4Sc10]
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 [15.9649]
_cell_length_b [8.6341]
_cell_length_c [8.2068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er12Th2Sc5]
_chemical_formula_sum '[Er24 Th4 Sc10]'
_cell_volume [1131.0426]
_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  8  0.1104  0.2900  0.6142  1
  Er  Er1  8  0.1884  0.2072  0.2218  1
  Er  Er2  4  0.0516  0.5000  0.2771  1
  Er  Er3  4  0.1659  0.0000  0.8740  1
  Th  Th4  4  0.0000  0.2123  0.0000  1
  Sc  Sc5  4  0.1434  0.5000  0.9440  1
  Sc  Sc6  4  0.2444  0.0000  0.5464  1
  Sc  Sc7  2  0.0000  0.0000  0.5000  1
]