data_[La6Pm8Er8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6321]
_cell_length_b [9.4926]
_cell_length_c [22.1833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3(PmEr)4]
_chemical_formula_sum '[La6 Pm8 Er8]'
_cell_volume [764.8288]
_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  0.0000  0.1092  1
  La  La1  2  0.0000  0.5000  0.0000  1
  Pm  Pm2  8  0.0000  0.1793  0.3523  1
  Er  Er3  4  0.0000  0.3184  0.5000  1
  Er  Er4  4  0.0000  0.5000  0.2578  1
]