data_MnBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   3.53
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBe2
_chemical_formula_sum   'Mn4 Be8'
_cell_volume   110.53
_cell_formula_units_Z   4
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  Mn8  1  0.73  0.88  0.24  1.0
  Mn  Mn9  1  0.56  0.65  0.83  1.0
  Mn  Mn10  1  0.03  0.88  1.0  1.0
  Mn  Mn11  1  0.85  0.65  0.59  1.0
  Be  Be0  1  0.56  0.88  0.59  1.0
  Be  Be1  1  0.32  0.65  0.01  1.0
  Be  Be2  1  0.27  0.88  0.82  1.0
  Be  Be3  1  0.03  0.65  0.23  1.0
  Be  Be4  1  0.02  0.88  0.25  1.0
  Be  Be5  1  0.87  0.65  0.83  1.0
  Be  Be6  1  0.72  0.88  0.99  1.0
  Be  Be7  1  0.57  0.65  0.58  1.0

data_MnBe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.53
_cell_length_b   4.59
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnBe2
_chemical_formula_sum   'Mn4 Be8'
_cell_volume   110.53
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.12  0.23  0.09  1.0
  Mn  Mn1  2  0.12  0.94  0.33  1.0
  Be  Be2  2  0.12  0.22  0.33  1.0
  Be  Be3  2  0.12  0.47  0.91  1.0
  Be  Be4  2  0.12  0.77  0.68  1.0
  Be  Be5  2  0.12  0.93  0.08  1.0

Mn Mn Mn Mn Be Be Be Be Be Be Be Be