[CIF]
data_ZrNi2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44891705
_cell_length_b   3.44891705
_cell_length_c   5.76667796
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2Br
_chemical_formula_sum   'Zr1 Ni2 Br1'
_cell_volume   68.59480036
_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
  Br  Br0  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni1  1  1.72445852  1.72445852  1.67141434  1
  Ni  Ni2  1  1.72445852  1.72445852  4.09526362  1
  Zr  Zr3  1  0.00000000  0.00000000  2.88333898  1
[/CIF]
