data_MgMn2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   132.2
_cell_angle_beta   132.2
_cell_angle_gamma   69.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Be
_chemical_formula_sum   'Mg1 Mn2 Be1'
_cell_volume   53.41
_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  0.88  0.0  0.9  1.0
  Mn  Mn2  1  0.0  0.0  0.79  1.0
  Mn  Mn3  1  0.0  0.88  0.9  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_MgMn2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   4.63
_cell_angle_alpha   113.9
_cell_angle_beta   113.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Be
_chemical_formula_sum   'Mg1 Mn2 Be1'
_cell_volume   53.41
_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  0.9  0.02  0.02  1.0
  Mn  Mn1  1  0.02  0.9  0.02  1.0
  Mn  Mn2  1  0.79  0.79  0.79  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

Mg Mn Mn Be