data_[La4Pm12Er24]
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 [Cmc2_1]
_cell_length_a [9.5223]
_cell_length_b [15.4024]
_cell_length_c [8.9508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La(PmEr2)3]
_chemical_formula_sum '[La4 Pm12 Er24]'
_cell_volume [1312.7812]
_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  0.0000  0.2744  0.9168  1
  Pm  Pm1  8  0.2476  0.0608  0.5085  1
  Pm  Pm2  4  0.0000  0.4484  0.6883  1
  Er  Er3  8  0.1742  0.3552  0.3356  1
  Er  Er4  8  0.1752  0.1489  0.1759  1
  Er  Er5  4  0.0000  0.0495  0.8198  1
  Er  Er6  4  0.0000  0.2149  0.5500  1
]