data_[Pr10Er2Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2886]
_cell_length_b [11.3169]
_cell_length_c [8.3137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5ErSn6]
_chemical_formula_sum '[Pr10 Er2 Sn12]'
_cell_volume [765.7564]
_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  0.1703  0.5000  1
  Pr  Pr1  4  0.0000  0.3298  0.0000  1
  Pr  Pr2  2  0.0000  0.5000  0.5000  1
  Er  Er3  2  0.0000  0.0000  0.0000  1
  Sn  Sn4  8  0.2458  0.1558  0.2459  1
  Sn  Sn5  4  0.2448  0.0000  0.7542  1
]