data_SrBeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   7.02
_cell_angle_alpha   149.18
_cell_angle_beta   149.18
_cell_angle_gamma   44.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeCl
_chemical_formula_sum   'Sr1 Be1 Cl1'
_cell_volume   90.55
_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  Sr2  1  0.0  0.0  0.82  1.0
  Be  Be0  1  0.0  0.0  0.41  1.0
  Cl  Cl1  1  0.0  0.0  0.78  1.0

data_SrBeCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   112.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrBeCl
_chemical_formula_sum   'Sr2 Be2 Cl2'
_cell_volume   181.11
_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  0.18  1.0
  Be  Be1  2  0.0  0.0  0.59  1.0
  Cl  Cl2  2  0.0  0.0  0.22  1.0

Sr Be Cl
Sr Be Cl 0 2 o o o 0 1 o o o 1 2 o o o 