data_Be2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   6.05
_cell_angle_alpha   110.25
_cell_angle_beta   110.25
_cell_angle_gamma   30.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Cr
_chemical_formula_sum   'Be4 Cr2'
_cell_volume   54.83
_cell_formula_units_Z   2
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  0.14  0.0  0.97  1.0
  Be  Be1  1  0.31  0.0  0.45  1.0
  Be  Be2  1  0.99  0.0  0.2  1.0
  Be  Be3  1  0.15  0.0  0.67  1.0
  Cr  Cr4  1  0.22  0.0  0.99  1.0
  Cr  Cr5  1  0.07  0.0  0.66  1.0

data_Be2Cr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.3
_cell_length_b   4.38
_cell_length_c   6.05
_cell_angle_alpha   110.25
_cell_angle_beta   90.0
_cell_angle_gamma   105.18
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Be2Cr
_chemical_formula_sum   'Be4 Cr2'
_cell_volume   54.83
_cell_formula_units_Z   2
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
  Be  Be0  2  0.0  0.34  0.38  1.0
  Be  Be1  2  0.0  0.5  0.15  1.0
  Cr  Cr2  2  0.0  0.43  0.83  1.0

Be Be Be Be Cr Cr
Be Be Be Be Cr Cr 0 4 o o o 0 2 - o + 1 2 - o o 1 5 o o o 1 3 o o o 2 4 + o - 3 5 o o o 