data_[La2Er6Sc2]
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 [P2_1/m]
_cell_length_a [6.1522]
_cell_length_b [5.5926]
_cell_length_c [9.4185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaEr3Sc]
_chemical_formula_sum '[La2 Er6 Sc2]'
_cell_volume [306.4122]
_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  0.2731  0.7500  0.2030  1.0
  Er  Er1  2  0.0647  0.7500  0.7883  1.0
  Er  Er2  2  0.3331  0.2500  0.9972  1.0
  Er  Er3  2  0.4513  0.7500  0.5940  1.0
  Sc  Sc4  2  0.1312  0.2500  0.5927  1.0
]