data_[Pr16Mg4Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7425]
_cell_length_b [5.4784]
_cell_length_c [7.0398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Mg2Cu]
_chemical_formula_sum '[Pr16 Mg4 Cu2]'
_cell_volume [701.3183]
_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  0.0177  0.0000  0.7731  1.0
  Pr  Pr1  4  0.0920  0.5000  0.4442  1.0
  Pr  Pr2  4  0.1514  0.5000  0.9532  1.0
  Pr  Pr3  4  0.2000  0.0000  0.2795  1.0
  Mg  Mg4  4  0.1889  0.0000  0.7291  1.0
  Cu  Cu5  2  0.0000  0.5000  0.0000  1.0
]