data_[Pr12In4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.0886]
_cell_length_b [6.4195]
_cell_length_c [11.1955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr3InBr]
_chemical_formula_sum '[Pr12 In4 Br4]'
_cell_volume [626.1479]
_cell_formula_units_Z [4]
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  4  0.1062  0.0342  0.8277  1
  Pr  Pr1  4  0.2725  0.5583  0.0441  1
  Pr  Pr2  4  0.3478  0.1103  0.2860  1
  In  In3  4  0.4741  0.6469  0.3929  1
  Br  Br4  4  0.0434  0.2484  0.0501  1
]