data_[Pr4Sm12Er6In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1699]
_cell_length_b [10.7038]
_cell_length_c [11.8283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Sm6Er3In]
_chemical_formula_sum '[Pr4 Sm12 Er6 In2]'
_cell_volume [769.3642]
_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  0.3335  0.0000  1.0
  Sm  Sm1  8  0.2470  0.1630  0.2524  1.0
  Sm  Sm2  4  0.2418  0.0000  0.7468  1.0
  Er  Er3  4  0.0000  0.1669  0.5000  1.0
  Er  Er4  2  0.0000  0.5000  0.5000  1.0
  In  In5  2  0.0000  0.0000  0.0000  1.0
]