data_[Pm21Cu3Br36]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.2218]
_cell_length_b [15.2218]
_cell_length_c [10.0504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pm7CuBr12]
_chemical_formula_sum '[Pm21 Cu3 Br36]'
_cell_volume [2016.7290]
_cell_formula_units_Z [3]
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  18  0.0444  0.8787  0.8395  1
  Pm  Pm1  3  0.0000  0.0000  0.5000  1
  Cu  Cu2  3  0.0000  0.0000  0.0000  1
  Br  Br3  18  0.0267  0.4401  0.6626  1
  Br  Br4  18  0.0495  0.8658  0.3441  1
]