data_BeInBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   3.64
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   110.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeInBr2
_chemical_formula_sum   'Be1 In1 Br2'
_cell_volume   102.7
_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  0.74  0.0  0.67  1.0
  In  In3  1  0.78  0.82  0.9  1.0
  Br  Br1  1  0.09  0.82  0.74  1.0
  Br  Br2  1  0.6  0.0  0.85  1.0

data_BeInBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.62
_cell_length_c   6.5
_cell_angle_alpha   110.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeInBr2
_chemical_formula_sum   'Be1 In1 Br2'
_cell_volume   102.7
_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  0.26  0.33  1.0
  In  In1  1  0.18  0.22  0.1  1.0
  Br  Br2  1  0.0  0.4  0.15  1.0
  Br  Br3  1  0.18  0.91  0.26  1.0

Be In Br Br