data_Be2ZnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   149.85
_cell_angle_beta   139.52
_cell_angle_gamma   51.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnBr
_chemical_formula_sum   'Be2 Zn1 Br1'
_cell_volume   76.76
_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
  Be  Be0  1  0.0  0.14  0.12  1.0
  Be  Be1  1  0.0  0.0  0.2  1.0
  Zn  Zn3  1  0.0  0.0  0.48  1.0
  Br  Br2  1  0.0  0.14  0.92  1.0

data_Be2ZnBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.28
_cell_length_c   6.18
_cell_angle_alpha   110.24
_cell_angle_beta   105.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnBr
_chemical_formula_sum   'Be2 Zn1 Br1'
_cell_volume   76.76
_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
  Be  Be0  1  0.8  0.8  0.8  1.0
  Be  Be1  1  0.88  0.02  0.02  1.0
  Zn  Zn2  1  0.52  0.52  0.52  1.0
  Br  Br3  1  0.08  0.21  0.21  1.0

Be Be Zn Br
Be Be Zn Br 0 1 o o o 0 3 o o - 1 2 o o o 2 3 o o o 