data_BeCdBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   125.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdBr2
_chemical_formula_sum   'Be1 Cd1 Br2'
_cell_volume   104.11
_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  0.0  0.16  1.0
  Cd  Cd3  1  0.73  0.0  0.29  1.0
  Br  Br1  1  0.73  0.0  0.76  1.0
  Br  Br2  1  0.0  0.0  0.34  1.0

data_BeCdBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.76
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdBr2
_chemical_formula_sum   'Be1 Cd1 Br2'
_cell_volume   104.11
_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  0.0  0.16  1.0
  Cd  Cd1  1  0.0  0.73  0.29  1.0
  Br  Br2  1  0.0  0.0  0.34  1.0
  Br  Br3  1  0.0  0.73  0.76  1.0

Be Cd Br Br