data_MgBeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09
_cell_length_b   10.09
_cell_length_c   10.09
_cell_angle_alpha   19.66
_cell_angle_beta   19.66
_cell_angle_gamma   19.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeBi2
_chemical_formula_sum   'Mg1 Be1 Bi2'
_cell_volume   101.68
_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  Mg3  1  0.0  0.0  0.31  1.0
  Be  Be0  1  0.0  0.0  0.31  1.0
  Bi  Bi1  1  0.0  0.0  0.96  1.0
  Bi  Bi2  1  0.0  0.0  0.61  1.0

data_MgBeBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.97
_cell_length_b   3.45
_cell_length_c   10.09
_cell_angle_alpha   90.0
_cell_angle_beta   101.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgBeBi2
_chemical_formula_sum   'Mg2 Be2 Bi4'
_cell_volume   203.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.69  1.0
  Be  Be1  2  0.0  0.0  0.69  1.0
  Bi  Bi2  2  0.0  0.0  0.04  1.0
  Bi  Bi3  2  0.0  0.0  0.39  1.0
