data_Be2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   154.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2In
_chemical_formula_sum   'Be4 In2'
_cell_volume   87.27
_cell_formula_units_Z   2
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  0.41  0.25  0.63  1.0
  Be  Be1  1  0.41  0.84  0.63  1.0
  Be  Be2  1  0.41  0.75  0.21  1.0
  Be  Be3  1  0.41  0.16  0.21  1.0
  In  In4  1  0.41  0.93  0.63  1.0
  In  In5  1  0.41  0.07  0.21  1.0

data_Be2In
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.83
_cell_length_b   4.84
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   102.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Be2In
_chemical_formula_sum   'Be4 In2'
_cell_volume   87.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.16  0.71  0.66  1.0
  Be  Be1  2  0.25  0.29  0.75  1.0
  In  In2  2  0.07  0.71  0.57  1.0

Be Be Be Be In In