data_BeCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   2.41
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr
_chemical_formula_sum   'Be2 Cr2'
_cell_volume   39.88
_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  0.91  0.0  0.73  1.0
  Be  Be1  1  0.97  0.0  0.52  1.0
  Cr  Cr2  1  0.91  0.21  0.64  1.0
  Cr  Cr3  1  0.97  0.21  0.62  1.0

data_BeCr
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.89
_cell_length_b   2.41
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   BeCr
_chemical_formula_sum   'Be2 Cr2'
_cell_volume   39.88
_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  0.47  0.0  0.61  1.0
  Cr  Cr1  2  0.47  0.21  0.51  1.0

Be Be Cr Cr