data_[La12Er4Tm4]
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
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.8743]
_cell_length_b [19.2262]
_cell_length_c [6.0916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La3ErTm]
_chemical_formula_sum '[La12 Er4 Tm4]'
_cell_volume [687.9907]
_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  0.0523  0.7854  1.0
  La  La1  4  0.0000  0.2500  0.8428  1.0
  La  La2  4  0.0000  0.4469  0.9041  1.0
  Er  Er3  4  0.0000  0.3537  0.3934  1.0
  Tm  Tm4  4  0.0000  0.1468  0.2961  1.0
]