data_[La4Sm2Er16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1515]
_cell_length_b [5.0456]
_cell_length_c [7.9822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2SmEr8]
_chemical_formula_sum '[La4 Sm2 Er16]'
_cell_volume [705.6436]
_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  0.2273  0.0000  0.6372  1.0
  Sm  Sm1  2  0.0000  0.5000  0.0000  1.0
  Er  Er2  4  0.0434  0.0000  0.7270  1.0
  Er  Er3  4  0.0884  0.5000  0.4535  1.0
  Er  Er4  4  0.1345  0.0000  0.1753  1.0
  Er  Er5  4  0.1806  0.5000  0.9067  1.0
]