data_[Pr4Cu4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1766]
_cell_length_b [4.1899]
_cell_length_c [11.0317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrCuCl]
_chemical_formula_sum '[Pr4 Cu4 Cl4]'
_cell_volume [326.4575]
_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  0.0801  0.0000  0.6850  1.0
  Cu  Cu1  4  0.1663  0.5000  0.4977  1.0
  Cl  Cl2  4  0.2092  0.0000  0.1537  1.0
]