data_[Pr4Er16Mg4]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.4123]
_cell_length_b [12.1049]
_cell_length_c [11.0871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PrEr4Mg]
_chemical_formula_sum '[Pr4 Er16 Mg4]'
_cell_volume [726.3787]
_cell_formula_units_Z [4]
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  0.1780  0.0820  1.0
  Er  Er1  4  0.0000  0.0210  0.7955  1.0
  Er  Er2  4  0.0000  0.1704  0.5214  1.0
  Er  Er3  4  0.0000  0.3206  0.8005  1.0
  Er  Er4  4  0.0000  0.4955  0.0576  1.0
  Mg  Mg5  4  0.0000  0.3476  0.3096  1.0
]