data_[Pm4Cu4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3347]
_cell_length_b [7.4710]
_cell_length_c [7.5509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PmCuCl4]
_chemical_formula_sum '[Pm4 Cu4 Cl16]'
_cell_volume [752.2445]
_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
[
  Pm  Pm0  4  0.2500  0.2500  0.5000  1
  Cu  Cu1  4  0.0000  0.2416  0.2500  1
  Cl  Cl2  8  0.0449  0.2479  0.5188  1
  Cl  Cl3  8  0.2493  0.4350  0.8134  1
]