data_[Pr4Co4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8686]
_cell_length_b [5.3863]
_cell_length_c [7.5114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PrCoCu]
_chemical_formula_sum '[Pr4 Co4 Cu4]'
_cell_volume [220.2588]
_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  0.1985  0.1117  0.8790  1.0
  Co  Co1  4  0.1800  0.6101  0.0304  1.0
  Cu  Cu2  4  0.4055  0.5996  0.8052  1.0
]