data_Be2CrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   3.64
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CrSb
_chemical_formula_sum   'Be2 Cr1 Sb1'
_cell_volume   55.58
_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  0.03  0.0  0.04  1.0
  Be  Be1  1  0.73  0.82  0.02  1.0
  Cr  Cr2  1  0.36  0.0  0.16  1.0
  Sb  Sb3  1  0.78  0.82  0.48  1.0

data_Be2CrSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   3.64
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CrSb
_chemical_formula_sum   'Be2 Cr1 Sb1'
_cell_volume   55.58
_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  0.03  0.0  0.04  1.0
  Be  Be1  1  0.73  0.82  0.02  1.0
  Cr  Cr2  1  0.36  0.0  0.16  1.0
  Sb  Sb3  1  0.78  0.82  0.48  1.0

Be Be Cr Sb
Be Be Cr Sb 0 1 - - o 0 2 o o o 0 3 - - o 1 3 o o o 2 3 o - o 2 3 - - o 3 3 + o o 