data_[Pr6Sm14Er2]
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 [C2/m]
_cell_length_a [11.7886]
_cell_length_b [10.2457]
_cell_length_c [6.4976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Sm7Er]
_chemical_formula_sum '[Pr6 Sm14 Er2]'
_cell_volume [782.4309]
_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  0.0000  0.1736  0.0000  1
  Pr  Pr1  2  0.0000  0.0000  0.5000  1
  Sm  Sm2  8  0.2411  0.3293  0.2618  1
  Sm  Sm3  4  0.2411  0.0000  0.2142  1
  Sm  Sm4  2  0.0000  0.5000  0.0000  1
  Er  Er5  2  0.0000  0.5000  0.5000  1
]