data_BeAl2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55
_cell_length_b   4.23
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   98.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2Cr
_chemical_formula_sum   'Be1 Al2 Cr1'
_cell_volume   50.58
_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
  Be  Be2  1  0.96  0.0  0.37  1.0
  Al  Al0  1  0.76  0.0  0.58  1.0
  Al  Al1  1  0.62  0.12  0.27  1.0
  Cr  Cr3  1  0.22  0.12  0.5  1.0

data_BeAl2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.23
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   98.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2Cr
_chemical_formula_sum   'Be1 Al2 Cr1'
_cell_volume   50.58
_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
  Be  Be0  1  0.96  0.0  0.37  1.0
  Al  Al1  1  0.62  0.12  0.27  1.0
  Al  Al2  1  0.76  0.0  0.58  1.0
  Cr  Cr3  1  0.22  0.12  0.5  1.0

Be Al Al Cr