data_[Pr6Sm2Er8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.5502]
_cell_length_b [7.3094]
_cell_length_c [6.3156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr3SmEr4]
_chemical_formula_sum '[Pr6 Sm2 Er8]'
_cell_volume [533.1970]
_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
[
  Pr  Pr0  4  0.2496  0.6295  0.9837  1.0
  Pr  Pr1  2  0.0000  0.6297  0.6447  1.0
  Sm  Sm2  2  0.0000  0.3683  0.1458  1.0
  Er  Er3  4  0.2494  0.1186  0.9795  1.0
  Er  Er4  2  0.0000  0.1191  0.6499  1.0
  Er  Er5  2  0.0000  0.8816  0.1486  1.0
]