data_[La16Er2Tm6]
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 [I222]
_cell_length_a [6.6675]
_cell_length_b [11.1950]
_cell_length_c [11.9542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [23]
_chemical_formula_structural [La8ErTm3]
_chemical_formula_sum '[La16 Er2 Tm6]'
_cell_volume [892.2928]
_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  8  0.0004  0.1565  0.2499  1
  La  La1  8  0.2488  0.2517  0.9700  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  Tm  Tm3  4  0.0000  0.5000  0.2438  1
  Tm  Tm4  2  0.0000  0.0000  0.5000  1
]