data_[Pm2P2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9484]
_cell_length_b [7.0334]
_cell_length_c [7.7929]
_cell_angle_alpha [67.9386]
_cell_angle_beta [75.5733]
_cell_angle_gamma [74.4114]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PmPBr]
_chemical_formula_sum '[Pm2 P2 Br2]'
_cell_volume [190.5078]
_cell_formula_units_Z [2]
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  0.3623  0.5766  0.2097  1
  P  P1  2  0.0135  0.3321  0.0935  1
  Br  Br2  2  0.3312  0.2358  0.5916  1
]