data_Sr2MnBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   6.6
_cell_length_c   6.6
_cell_angle_alpha   39.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MnBe
_chemical_formula_sum   'Sr2 Mn1 Be1'
_cell_volume   111.63
_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  Sr2  1  0.0  0.0  0.42  1.0
  Sr  Sr3  1  0.02  0.0  0.8  1.0
  Mn  Mn1  1  0.02  0.0  0.9  1.0
  Be  Be0  1  0.0  0.0  0.8  1.0

data_Sr2MnBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.46
_cell_length_c   6.6
_cell_angle_alpha   109.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MnBe
_chemical_formula_sum   'Sr2 Mn1 Be1'
_cell_volume   111.63
_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  0.0  0.42  0.42  1.0
  Sr  Sr1  1  0.98  0.8  0.8  1.0
  Mn  Mn2  1  0.98  0.9  0.9  1.0
  Be  Be3  1  0.0  0.8  0.8  1.0

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