data_SrBe2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   3.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBe2Cu
_chemical_formula_sum   'Sr1 Be2 Cu1'
_cell_volume   68.54
_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  0.1  0.0  0.0  1.0
  Be  Be0  1  0.55  0.16  0.51  1.0
  Be  Be1  1  0.55  0.84  0.51  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_SrBe2Cu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.8
_cell_length_b   3.01
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   99.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrBe2Cu
_chemical_formula_sum   'Sr1 Be2 Cu1'
_cell_volume   68.54
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.1  0.0  0.0  1.0
  Be  Be1  1  0.55  0.5  0.16  1.0
  Be  Be2  1  0.55  0.5  0.84  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Sr Be Be Cu
Sr Be Be Cu 0 3 o o o 1 2 o - o 