data_[Pm4Zn12Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [18.9192]
_cell_length_b [9.4365]
_cell_length_c [13.5893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.3311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Pm(ZnBr3)3]
_chemical_formula_sum '[Pm4 Zn12 Br36]'
_cell_volume [1876.5875]
_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  0.2506  0.2717  0.5052  1
  Zn  Zn1  4  0.1067  0.9242  0.1697  1
  Zn  Zn2  4  0.3950  0.3819  0.3356  1
  Zn  Zn3  4  0.4794  0.0791  0.2125  1
  Br  Br4  4  0.0522  0.1356  0.0362  1
  Br  Br5  4  0.1166  0.4975  0.4204  1
  Br  Br6  4  0.1565  0.0098  0.3767  1
  Br  Br7  4  0.2348  0.8135  0.1966  1
  Br  Br8  4  0.2657  0.4214  0.3316  1
  Br  Br9  4  0.3646  0.1537  0.2306  1
  Br  Br10  4  0.4024  0.4285  0.7196  1
  Br  Br11  4  0.4073  0.1209  0.5624  1
  Br  Br12  4  0.4858  0.2481  0.0808  1
]