data_[Pm4C1Se1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2271]
_cell_length_b [3.9426]
_cell_length_c [7.5280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm4CSeBr2]
_chemical_formula_sum '[Pm4 C1 Se1 Br2]'
_cell_volume [204.5649]
_cell_formula_units_Z [1]
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  2  0.2810  0.5000  0.1992  1
  Pm  Pm1  2  0.3021  0.0000  0.8101  1
  Se  Se2  1  0.0000  0.0000  0.0000  1
  C  C3  1  0.5000  0.5000  0.0000  1
  Br  Br4  1  0.0000  0.5000  0.5000  1
  Br  Br5  1  0.5000  0.0000  0.5000  1
]