data_[Pr6Mg4Cu6]
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 [Immm]
_cell_length_a [3.4851]
_cell_length_b [5.2263]
_cell_length_c [20.6970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr3Mg2Cu3]
_chemical_formula_sum '[Pr6 Mg4 Cu6]'
_cell_volume [376.9796]
_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  0.0000  0.3774  1
  Pr  Pr1  2  0.0000  0.5000  0.5000  1
  Mg  Mg2  4  0.0000  0.5000  0.2708  1
  Cu  Cu3  4  0.0000  0.0000  0.1250  1
  Cu  Cu4  2  0.0000  0.5000  0.0000  1
]