data_BeCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2
_chemical_formula_sum   'Be4 Cr8'
_cell_volume   139.77
_cell_formula_units_Z   4
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  0.36  0.36  0.15  1.0
  Be  Be1  1  0.0  0.73  0.54  1.0
  Be  Be2  1  0.0  0.73  0.08  1.0
  Be  Be3  1  0.36  0.36  0.7  1.0
  Cr  Cr4  1  0.0  0.0  0.62  1.0
  Cr  Cr5  1  0.0  0.0  0.0  1.0
  Cr  Cr6  1  0.13  0.38  0.43  1.0
  Cr  Cr7  1  0.23  0.71  0.81  1.0
  Cr  Cr8  1  0.87  0.38  0.43  1.0
  Cr  Cr9  1  0.0  0.42  0.43  1.0
  Cr  Cr10  1  0.36  0.67  0.81  1.0
  Cr  Cr11  1  0.49  0.71  0.81  1.0

data_BeCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2
_chemical_formula_sum   'Be4 Cr8'
_cell_volume   139.77
_cell_formula_units_Z   4
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  0.73  0.08  1.0
  Be  Be1  1  0.0  0.73  0.54  1.0
  Be  Be2  1  0.36  0.36  0.15  1.0
  Be  Be3  1  0.36  0.36  0.7  1.0
  Cr  Cr4  1  0.0  0.0  0.0  1.0
  Cr  Cr5  1  0.0  0.0  0.62  1.0
  Cr  Cr6  1  0.0  0.42  0.43  1.0
  Cr  Cr7  1  0.13  0.38  0.43  1.0
  Cr  Cr8  1  0.23  0.71  0.81  1.0
  Cr  Cr9  1  0.36  0.67  0.81  1.0
  Cr  Cr10  1  0.49  0.71  0.81  1.0
  Cr  Cr11  1  0.87  0.38  0.43  1.0

Be Be Be Be Cr Cr Cr Cr Cr Cr Cr Cr