data_[Pr16Ga4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0070]
_cell_length_b [14.2480]
_cell_length_c [6.1404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4GaCu]
_chemical_formula_sum '[Pr16 Ga4 Cu4]'
_cell_volume [692.7548]
_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  8  0.1244  0.1912  0.5886  1
  Pr  Pr1  8  0.2089  0.5719  0.3172  1
  Ga  Ga2  4  0.0000  0.3796  0.2500  1
  Cu  Cu3  4  0.0000  0.0049  0.2500  1
]