data_[La4Er6Tm12Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [6.1081]
_cell_length_b [10.5593]
_cell_length_c [11.6766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Er3Tm6Sc]
_chemical_formula_sum '[La4 Er6 Tm12 Sc2]'
_cell_volume [741.6894]
_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
[
  La  La0  4  0.0000  0.3334  0.0000  1.0
  Er  Er1  4  0.0000  0.1663  0.5000  1.0
  Er  Er2  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm3  8  0.2494  0.1649  0.2535  1.0
  Tm  Tm4  4  0.2452  0.0000  0.7460  1.0
  Sc  Sc5  2  0.0000  0.0000  0.0000  1.0
]