data_BeIn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   3.98
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   111.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2Sb
_chemical_formula_sum   'Be1 In2 Sb1'
_cell_volume   95.13
_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  0.52  0.0  0.28  1.0
  In  In1  1  0.06  0.99  0.3  1.0
  In  In2  1  0.58  0.0  0.02  1.0
  Sb  Sb3  1  0.71  0.99  0.5  1.0

data_BeIn2Sb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.43
_cell_length_b   3.98
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   111.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BeIn2Sb
_chemical_formula_sum   'Be1 In2 Sb1'
_cell_volume   95.13
_cell_formula_units_Z   1
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  1  0.52  0.0  0.28  1.0
  In  In1  1  0.06  0.0  0.3  1.0
  In  In2  1  0.58  0.0  0.02  1.0
  Sb  Sb3  1  0.71  0.0  0.5  1.0

Be In In Sb
Be In In Sb 0 3 o - o 0 1 + - o 0 1 o - o 0 2 o o o 1 2 - + o 1 3 - o o 