data_[La2Er6Sc8]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.8719]
_cell_length_b [6.9955]
_cell_length_c [6.0069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LaEr3Sc4]
_chemical_formula_sum '[La2 Er6 Sc8]'
_cell_volume [456.8489]
_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  2  0.0000  0.3658  0.1385  1.0
  Er  Er1  4  0.2491  0.3638  0.4881  1.0
  Er  Er2  2  0.0000  0.6358  0.6415  1.0
  Sc  Sc3  4  0.2462  0.8840  0.4793  1.0
  Sc  Sc4  2  0.0000  0.1122  0.6498  1.0
  Sc  Sc5  2  0.0000  0.8842  0.1506  1.0
]