data_BeIn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   127.12
_cell_angle_beta   127.12
_cell_angle_gamma   78.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2Bi
_chemical_formula_sum   'Be1 In2 Bi1'
_cell_volume   99.03
_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  In2  1  0.0  0.0  0.22  1.0
  In  In3  1  0.0  0.42  0.11  1.0
  Bi  Bi1  1  0.42  0.0  0.11  1.0

data_BeIn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.44
_cell_angle_alpha   116.44
_cell_angle_beta   116.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2Bi
_chemical_formula_sum   'Be1 In2 Bi1'
_cell_volume   99.03
_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  0.22  0.22  0.22  1.0
  In  In2  1  0.69  0.11  0.69  1.0
  Bi  Bi3  1  0.11  0.69  0.69  1.0

Be In In Bi