data_[Pm1Bi1N2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.8268]
_cell_length_b [3.8268]
_cell_length_c [7.6681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [PmBi(NCl)2]
_chemical_formula_sum '[Pm1 Bi1 N2 Cl2]'
_cell_volume [112.2932]
_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  1  0.5000  0.5000  0.2091  1
  Bi  Bi1  1  0.0000  0.0000  0.8251  1
  N  N2  2  0.0000  0.5000  0.0037  1
  Cl  Cl3  1  0.0000  0.0000  0.3510  1
  Cl  Cl4  1  0.5000  0.5000  0.6074  1
]