data_MgBeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   148.22
_cell_angle_beta   143.23
_cell_angle_gamma   49.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeBi
_chemical_formula_sum   'Mg1 Be1 Bi1'
_cell_volume   64.66
_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
  Mg  Mg2  1  0.0  0.0  0.86  1.0
  Be  Be0  1  0.0  0.0  0.67  1.0
  Bi  Bi1  1  0.0  0.0  0.94  1.0

data_MgBeBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.73
_cell_length_c   5.91
_cell_angle_alpha   108.38
_cell_angle_beta   105.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeBi
_chemical_formula_sum   'Mg1 Be1 Bi1'
_cell_volume   64.66
_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
  Mg  Mg0  1  0.14  0.14  0.14  1.0
  Be  Be1  1  0.33  0.33  0.33  1.0
  Bi  Bi2  1  0.06  0.06  0.06  1.0

Mg Be Bi