data_[Pr3Sm4Er5]
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 [P-1]
_cell_length_a [6.2284]
_cell_length_b [7.1946]
_cell_length_c [8.8147]
_cell_angle_alpha [89.9650]
_cell_angle_beta [89.8877]
_cell_angle_gamma [89.8621]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr3Sm4Er5]
_chemical_formula_sum '[Pr3 Sm4 Er5]'
_cell_volume [394.9978]
_cell_formula_units_Z [1]
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  2  0.3320  0.2502  0.1670  1
  Pr  Pr1  1  0.5000  0.5000  0.5000  1
  Sm  Sm2  2  0.1680  0.0003  0.8300  1
  Sm  Sm3  2  0.3306  0.7503  0.1676  1
  Er  Er4  2  0.0009  0.7500  0.4997  1
  Er  Er5  2  0.1647  0.4996  0.8305  1
  Er  Er6  1  0.5000  0.0000  0.5000  1
]