data_[Pr2Er28Th2]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [11.4146]
_cell_length_b [7.1049]
_cell_length_c [12.2420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PrEr14Th]
_chemical_formula_sum '[Pr2 Er28 Th2]'
_cell_volume [992.8260]
_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  2  0.5000  0.0000  0.2090  1
  Er  Er1  8  0.2467  0.2475  0.6255  1
  Er  Er2  4  0.0000  0.2494  0.2921  1
  Er  Er3  4  0.2464  0.0000  0.3759  1
  Er  Er4  4  0.2495  0.0000  0.8732  1
  Er  Er5  4  0.5000  0.2497  0.9584  1
  Er  Er6  2  0.0000  0.0000  0.0413  1
  Er  Er7  2  0.0000  0.0000  0.5415  1
  Th  Th8  2  0.5000  0.0000  0.7069  1
]