data_MgBe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   6.18
_cell_angle_alpha   107.12
_cell_angle_beta   107.12
_cell_angle_gamma   59.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBe2Bi
_chemical_formula_sum   'Mg1 Be2 Bi1'
_cell_volume   72.82
_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  0.44  0.0  0.86  1.0
  Be  Be0  1  0.54  0.0  0.13  1.0
  Be  Be1  1  0.1  0.0  0.11  1.0
  Bi  Bi2  1  0.31  0.0  0.44  1.0

data_MgBe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.82
_cell_length_c   6.18
_cell_angle_alpha   107.12
_cell_angle_beta   90.0
_cell_angle_gamma   119.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBe2Bi
_chemical_formula_sum   'Mg1 Be2 Bi1'
_cell_volume   72.82
_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  0.0  0.56  0.14  1.0
  Be  Be1  1  0.0  0.46  0.87  1.0
  Be  Be2  1  0.0  0.9  0.89  1.0
  Bi  Bi3  1  0.0  0.69  0.56  1.0

Mg Be Be Bi