data_Be2InBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2InBr
_chemical_formula_sum   'Be2 In1 Br1'
_cell_volume   75.92
_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  0.66  0.0  0.75  1.0
  Be  Be1  1  0.66  0.0  0.85  1.0
  In  In3  1  0.0  0.0  0.8  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_Be2InBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.44
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2InBr
_chemical_formula_sum   'Be2 In1 Br1'
_cell_volume   75.92
_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  0.66  0.75  1.0
  Be  Be1  1  0.0  0.66  0.85  1.0
  In  In2  1  0.0  0.0  0.8  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Be Be In Br
Be Be In Br 0 1 o o o 0 2 + o o 1 2 + o o 1 3 + o + 2 3 o o + 