data_[La4Er4Tm12Sc4]
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 [Cmcm]
_cell_length_a [4.9487]
_cell_length_b [14.8573]
_cell_length_c [9.9818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaErTm3Sc]
_chemical_formula_sum '[La4 Er4 Tm12 Sc4]'
_cell_volume [733.9112]
_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
[
  La  La0  4  0.0000  0.4970  0.7500  1.0
  Er  Er1  4  0.0000  0.0000  0.0000  1.0
  Tm  Tm2  8  0.0000  0.3306  0.0007  1.0
  Tm  Tm3  4  0.0000  0.1721  0.7500  1.0
  Sc  Sc4  4  0.0000  0.1705  0.2500  1.0
]