data_[Pr4Y4C2Br8Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1330]
_cell_length_b [3.8342]
_cell_length_c [8.0692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Y2CBr4Cl]
_chemical_formula_sum '[Pr4 Y4 C2 Br8 Cl2]'
_cell_volume [544.6698]
_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
[
  Pr  Pr0  4  0.1445  0.5000  0.0801  1
  Y  Y1  4  0.0003  0.0000  0.7929  1
  C  C2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1602  0.0000  0.3665  1
  Br  Br4  4  0.1651  0.0000  0.8075  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]