data_[Pr8Er4Mg8]
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 [Cmcm]
_cell_length_a [3.8513]
_cell_length_b [28.4369]
_cell_length_c [5.4931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr2ErMg2]
_chemical_formula_sum '[Pr8 Er4 Mg8]'
_cell_volume [601.5998]
_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  0.0444  0.2500  1
  Pr  Pr1  4  0.0000  0.2356  0.2500  1
  Er  Er2  4  0.0000  0.1503  0.7500  1
  Mg  Mg3  4  0.0000  0.3610  0.7500  1
  Mg  Mg4  4  0.0000  0.4436  0.2500  1
]