data_SrBe2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   38.97
_cell_angle_beta   38.97
_cell_angle_gamma   38.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBe2Co
_chemical_formula_sum   'Sr1 Be2 Co1'
_cell_volume   67.12
_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  0.0  0.0  0.94  1.0
  Be  Be0  1  0.0  0.0  0.83  1.0
  Be  Be1  1  0.0  0.0  0.05  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_SrBe2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.63
_cell_length_b   3.83
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   112.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrBe2Co
_chemical_formula_sum   'Sr2 Be4 Co2'
_cell_volume   134.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.06  1.0
  Be  Be1  2  0.0  0.0  0.17  1.0
  Be  Be2  2  0.0  0.0  0.95  1.0
  Co  Co3  2  0.0  0.0  0.0  1.0

Sr Be Be Co
Sr Be Be Co 0 3 o o + 0 1 o o o 2 3 o o o 