data_MgMnBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   149.93
_cell_angle_beta   149.93
_cell_angle_gamma   43.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnBe
_chemical_formula_sum   'Mg1 Mn1 Be1'
_cell_volume   39.89
_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  Mg1  1  0.0  0.0  0.41  1.0
  Mn  Mn2  1  0.0  0.0  0.45  1.0
  Be  Be0  1  0.0  0.0  0.22  1.0

data_MgMnBe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   111.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgMnBe
_chemical_formula_sum   'Mg2 Mn2 Be2'
_cell_volume   79.78
_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  0.59  1.0
  Mn  Mn1  2  0.0  0.0  0.55  1.0
  Be  Be2  2  0.0  0.0  0.78  1.0

Mg Mn Be
Mg Mn Be 0 1 o o o 0 2 o o o 1 2 o o o 