# generated using pymatgen
data_BaBrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25844646
_cell_length_b   4.85289062
_cell_length_c   9.57758653
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBrCl
_chemical_formula_sum   'Ba4 Br4 Cl4'
_cell_volume   383.84416647
_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
  Ba  Ba0  1  0.26417941  0.25000000  0.12107399  1.0
  Ba  Ba1  1  0.73582059  0.75000000  0.87892601  1.0
  Ba  Ba2  1  0.76417941  0.25000000  0.37892601  1.0
  Ba  Ba3  1  0.23582059  0.75000000  0.62107399  1.0
  Br  Br4  1  0.02850431  0.25000000  0.82931716  1.0
  Br  Br5  1  0.97149569  0.75000000  0.17068284  1.0
  Br  Br6  1  0.52850431  0.25000000  0.67068284  1.0
  Br  Br7  1  0.47149569  0.75000000  0.32931716  1.0
  Cl  Cl8  1  0.14270203  0.25000000  0.43196587  1.0
  Cl  Cl9  1  0.85729797  0.75000000  0.56803413  1.0
  Cl  Cl10  1  0.64270203  0.25000000  0.06803413  1.0
  Cl  Cl11  1  0.35729797  0.75000000  0.93196587  1.0