[CIF]
data_LaZr2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.40627974
_cell_length_b   3.40627974
_cell_length_c   10.12599518
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.43780326
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZr2Br
_chemical_formula_sum   'La1 Zr2 Br1'
_cell_volume   101.29688359
_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
  La  La1  1  0.00000000  0.00000000  5.06299759  1
  Zr  Zr2  1  1.69185712  0.00000000  7.80220505  1
  Zr  Zr3  1  1.69185712  0.00000000  2.32379013  1
[/CIF]
