data_[Pr4Si1Ag1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4926]
_cell_length_b [4.3102]
_cell_length_c [7.7119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4SiAgBr2]
_chemical_formula_sum '[Pr4 Si1 Ag1 Br2]'
_cell_volume [236.3294]
_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  0.2236  0.0000  0.7282  1.0
  Pr  Pr1  2  0.2321  0.5000  0.2555  1.0
  Si  Si2  1  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  1  0.0000  0.0000  0.0000  1.0
  Br  Br4  1  0.5000  0.0000  0.5000  1.0
  Br  Br5  1  0.5000  0.5000  0.0000  1.0
]