# CIF generated by HEAS from Alexandria entry agm005677940
data_agm005677940
_cell_length_a     3.36096
_cell_length_b     3.36096
_cell_length_c     11.52335
_cell_angle_alpha  90.10714
_cell_angle_beta   98.27572
_cell_angle_gamma  120.00578
_cell_volume       111.13355
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Zr1 Zr 0.90425 0.45118 0.35543 1.00000
  Zr2 Zr 0.09575 0.54882 0.64457 1.00000
  B1 B 0.33333 0.16667 0.50000 1.00000
  B2 B 0.66667 0.83333 0.50000 1.00000
  Br1 Br 0.54445 0.27439 0.81883 1.00000
  Br2 Br 0.45555 0.72561 0.18117 1.00000