data_Be2AlCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   146.39
_cell_angle_beta   129.81
_cell_angle_gamma   61.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlCr
_chemical_formula_sum   'Be2 Al1 Cr1'
_cell_volume   44.31
_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  Be1  1  0.0  0.0  0.95  1.0
  Be  Be2  1  0.37  0.0  0.1  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.0  0.0  0.05  1.0

data_Be2AlCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.01
_cell_length_c   4.72
_cell_angle_alpha   115.1
_cell_angle_beta   106.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlCr
_chemical_formula_sum   'Be2 Al1 Cr1'
_cell_volume   44.31
_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  0.0  0.1  0.74  1.0
  Be  Be1  1  1.0  0.95  0.95  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.0  0.05  0.05  1.0

Be Be Al Cr