data_BeBrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   7.0
_cell_angle_alpha   120.54
_cell_angle_beta   120.54
_cell_angle_gamma   26.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBrCl2
_chemical_formula_sum   'Be1 Br1 Cl2'
_cell_volume   110.98
_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  0.42  0.0  0.83  1.0
  Br  Br1  1  0.61  0.0  0.85  1.0
  Cl  Cl2  1  0.61  0.0  0.1  1.0
  Cl  Cl3  1  0.59  0.0  0.19  1.0

data_BeBrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   6.51
_cell_length_c   6.71
_cell_angle_alpha   63.91
_cell_angle_beta   77.38
_cell_angle_gamma   76.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBrCl2
_chemical_formula_sum   'Be1 Br1 Cl2'
_cell_volume   110.98
_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  0.6  0.83  1.0
  Br  Br1  1  0.0  0.76  0.85  1.0
  Cl  Cl2  1  0.0  0.4  0.19  1.0
  Cl  Cl3  1  0.0  0.51  0.1  1.0

Be Br Cl Cl
Be Br Cl Cl 0 1 o o o 2 3 o o o 