data_[Pr4Sm6Y12Er2]
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
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2767]
_cell_length_b [10.8572]
_cell_length_c [11.9402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Sm3Y6Er]
_chemical_formula_sum '[Pr4 Sm6 Y12 Er2]'
_cell_volume [801.3331]
_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  0.3336  0.0000  1.0
  Sm  Sm1  4  0.0000  0.1667  0.5000  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  8  0.2496  0.1662  0.2505  1.0
  Y  Y4  4  0.2487  0.0000  0.7490  1.0
  Er  Er5  2  0.0000  0.0000  0.0000  1.0
]