data_BeIn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   142.41
_cell_angle_beta   142.41
_cell_angle_gamma   54.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2B
_chemical_formula_sum   'Be1 In2 B1'
_cell_volume   69.08
_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  Be1  1  0.0  0.0  0.0  1.0
  In  In2  1  0.84  0.0  0.54  1.0
  In  In3  1  0.0  0.0  0.09  1.0
  B  B0  1  0.0  0.84  0.54  1.0

data_BeIn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   5.72
_cell_angle_alpha   108.8
_cell_angle_beta   108.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2B
_chemical_formula_sum   'Be1 In2 B1'
_cell_volume   69.08
_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  0.0  0.0  1.0
  In  In1  1  0.46  0.0  0.3  1.0
  In  In2  1  0.91  0.0  0.91  1.0
  B  B3  1  0.3  0.84  0.3  1.0

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