data_[La4Pr8Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2905]
_cell_length_b [5.1219]
_cell_length_c [11.4679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaPr2Er3]
_chemical_formula_sum '[La4 Pr8 Er12]'
_cell_volume [804.2302]
_cell_formula_units_Z [4]
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  0.1263  0.0000  0.1316  1.0
  Pr  Pr1  4  0.0403  0.5000  0.8691  1.0
  Pr  Pr2  4  0.2051  0.0000  0.8677  1.0
  Er  Er3  4  0.0435  0.0000  0.3826  1.0
  Er  Er4  4  0.1221  0.5000  0.6169  1.0
  Er  Er5  4  0.2114  0.5000  0.3834  1.0
]