# generated using pymatgen
data_Pr4Co4HgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00677041
_cell_length_b   4.00677024
_cell_length_c   16.92880031
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998450
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr4Co4HgCl
_chemical_formula_sum   'Pr4 Co4 Hg1 Cl1'
_cell_volume   235.36711236
_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  1  0.00000000  0.00000000  0.11221067  1.0
  Pr  Pr1  1  0.00000000  0.00000000  0.88256553  1.0
  Pr  Pr2  1  0.00000000  0.00000000  0.61743447  1.0
  Pr  Pr3  1  0.00000000  0.00000000  0.38778933  1.0
  Co  Co4  1  0.33333300  0.66666700  0.51001200  1.0
  Co  Co5  1  0.66666700  0.33333300  0.50301886  1.0
  Co  Co6  1  0.66666700  0.33333300  0.99698114  1.0
  Co  Co7  1  0.33333300  0.66666700  0.98998800  1.0
  Hg  Hg8  1  0.33333300  0.66666700  0.25000000  1.0
  Cl  Cl9  1  0.66666700  0.33333300  0.75000000  1.0