data_HfBe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   144.1
_cell_angle_beta   124.8
_cell_angle_gamma   67.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Br
_chemical_formula_sum   'Hf1 Be2 Br1'
_cell_volume   62.36
_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
  Hf  Hf3  1  0.57  0.0  0.98  1.0
  Be  Be0  1  0.0  0.0  0.15  1.0
  Be  Be1  1  0.0  0.36  0.34  1.0
  Br  Br2  1  0.0  0.0  0.43  1.0

data_HfBe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.71
_cell_length_c   5.08
_cell_angle_alpha   117.6
_cell_angle_beta   107.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Br
_chemical_formula_sum   'Hf1 Be2 Br1'
_cell_volume   62.36
_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
  Hf  Hf0  1  0.59  0.02  0.59  1.0
  Be  Be1  1  0.66  0.02  0.02  1.0
  Be  Be2  1  0.85  0.85  0.85  1.0
  Br  Br3  1  0.57  0.57  0.57  1.0

Hf Be Be Br