data_[Pr3Sm1Er7]
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 [P3m1]
_cell_length_a [7.0581]
_cell_length_b [7.0581]
_cell_length_c [8.7122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Pr3SmEr7]
_chemical_formula_sum '[Pr3 Sm1 Er7]'
_cell_volume [375.8677]
_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  3  0.1669  0.3339  0.7841  1
  Sm  Sm1  1  0.0000  0.0000  0.4440  1
  Er  Er2  3  0.0015  0.5008  0.4433  1
  Er  Er3  3  0.3324  0.1662  0.1219  1
  Er  Er4  1  0.3333  0.6667  0.1233  1
]