data_Be2CrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   3.58
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CrBi
_chemical_formula_sum   'Be2 Cr1 Bi1'
_cell_volume   61.51
_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  0.11  0.79  0.7  1.0
  Be  Be1  1  0.22  0.0  0.94  1.0
  Cr  Cr3  1  0.66  0.0  0.03  1.0
  Bi  Bi2  1  0.09  0.79  0.1  1.0

data_Be2CrBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   3.58
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CrBi
_chemical_formula_sum   'Be2 Cr1 Bi1'
_cell_volume   61.51
_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  0.11  0.79  0.7  1.0
  Be  Be1  1  0.22  0.0  0.94  1.0
  Cr  Cr2  1  0.66  0.0  0.03  1.0
  Bi  Bi3  1  0.09  0.79  0.1  1.0

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