data_SrMn2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   4.41
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMn2Be
_chemical_formula_sum   'Sr1 Mn2 Be1'
_cell_volume   61.55
_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
  Sr  Sr3  1  0.53  0.21  0.0  1.0
  Mn  Mn1  1  0.0  0.21  0.28  1.0
  Mn  Mn2  1  0.53  0.0  0.28  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_SrMn2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.41
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMn2Be
_chemical_formula_sum   'Sr1 Mn2 Be1'
_cell_volume   61.55
_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
  Sr  Sr0  1  0.53  0.21  0.0  1.0
  Mn  Mn1  1  0.0  0.21  0.28  1.0
  Mn  Mn2  1  0.53  0.0  0.28  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

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