data_[Pr4Ga1Hg1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4806]
_cell_length_b [4.4251]
_cell_length_c [7.7167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4GaHgBr2]
_chemical_formula_sum '[Pr4 Ga1 Hg1 Br2]'
_cell_volume [241.0248]
_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
[
  Pr  Pr0  2  0.2553  0.5000  0.2444  1
  Pr  Pr1  2  0.2659  0.0000  0.7651  1
  Ga  Ga2  1  0.5000  0.5000  0.0000  1
  Hg  Hg3  1  0.0000  0.0000  0.0000  1
  Br  Br4  1  0.0000  0.5000  0.5000  1
  Br  Br5  1  0.5000  0.0000  0.5000  1
]