data_Mn2BeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   134.43
_cell_angle_beta   134.43
_cell_angle_gamma   66.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BeBi
_chemical_formula_sum   'Mn2 Be1 Bi1'
_cell_volume   62.32
_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
  Mn  Mn2  1  0.0  0.0  0.17  1.0
  Mn  Mn3  1  0.0  0.93  0.09  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.93  0.0  0.09  1.0

data_Mn2BeBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   4.99
_cell_angle_alpha   112.78
_cell_angle_beta   112.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BeBi
_chemical_formula_sum   'Mn2 Be1 Bi1'
_cell_volume   62.32
_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
  Mn  Mn0  1  0.16  0.09  0.16  1.0
  Mn  Mn1  1  0.17  0.17  0.17  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.09  0.16  0.16  1.0

Mn Mn Be Bi
Mn Mn Be Bi 0 3 - o o 0 1 o - o 1 3 - + o 1 2 o + o 2 3 - o o 