data_NaMn2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   5.08
_cell_angle_alpha   102.33
_cell_angle_beta   102.33
_cell_angle_gamma   31.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2Be
_chemical_formula_sum   'Na1 Mn2 Be1'
_cell_volume   58.0
_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
  Na  Na3  1  0.98  0.0  0.48  1.0
  Mn  Mn1  1  0.62  0.0  0.04  1.0
  Mn  Mn2  1  0.33  0.0  0.92  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_NaMn2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   4.72
_cell_length_c   5.08
_cell_angle_alpha   102.33
_cell_angle_beta   90.0
_cell_angle_gamma   105.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2Be
_chemical_formula_sum   'Na1 Mn2 Be1'
_cell_volume   58.0
_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
  Na  Na0  1  0.0  0.02  0.52  1.0
  Mn  Mn1  1  0.0  0.38  0.96  1.0
  Mn  Mn2  1  0.0  0.67  0.08  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

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