data_SrBeCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   147.98
_cell_angle_beta   122.24
_cell_angle_gamma   67.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeCr2
_chemical_formula_sum   'Sr1 Be1 Cr2'
_cell_volume   71.08
_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  0.5  0.0  0.43  1.0
  Be  Be0  1  0.0  0.0  0.19  1.0
  Cr  Cr1  1  0.5  0.0  0.21  1.0
  Cr  Cr2  1  0.0  0.0  0.72  1.0

data_SrBeCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.25
_cell_length_c   5.43
_cell_angle_alpha   118.88
_cell_angle_beta   106.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeCr2
_chemical_formula_sum   'Sr1 Be1 Cr2'
_cell_volume   71.08
_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  0.43  0.93  1.0
  Be  Be1  1  0.0  0.19  0.19  1.0
  Cr  Cr2  1  0.0  0.21  0.71  1.0
  Cr  Cr3  1  0.0  0.72  0.72  1.0

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