data_BeGa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   133.66
_cell_angle_beta   111.81
_cell_angle_gamma   86.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2Bi
_chemical_formula_sum   'Be1 Ga2 Bi1'
_cell_volume   85.18
_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
  Ga  Ga2  1  0.0  0.0  0.14  1.0
  Ga  Ga3  1  0.0  0.86  0.56  1.0
  Bi  Bi1  1  0.01  0.0  0.16  1.0

data_BeGa2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   68.19
_cell_angle_beta   66.83
_cell_angle_gamma   66.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2Bi
_chemical_formula_sum   'Be1 Ga2 Bi1'
_cell_volume   85.18
_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  1.0  1.0
  Ga  Ga1  1  0.14  -0.0  0.86  1.0
  Ga  Ga2  1  0.56  0.0  0.3  1.0
  Bi  Bi3  1  0.16  0.01  0.84  1.0

Be Ga Ga Bi
Be Ga Ga Bi 0 3 o o o 0 1 o o o 0 2 o - - 1 3 o o o 