data_BeCoBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   3.41
_cell_angle_alpha   96.54
_cell_angle_beta   96.54
_cell_angle_gamma   93.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCoBi2
_chemical_formula_sum   'Be1 Co1 Bi2'
_cell_volume   79.48
_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  0.0  0.0  0.0  1.0
  Co  Co3  1  0.33  0.0  0.0  1.0
  Bi  Bi1  1  0.38  0.77  0.68  1.0
  Bi  Bi2  1  0.38  0.23  0.68  1.0

data_BeCoBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   93.68
_cell_angle_beta   96.54
_cell_angle_gamma   96.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCoBi2
_chemical_formula_sum   'Be1 Co1 Bi2'
_cell_volume   79.48
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  -0.0  0.33  0.0  1.0
  Bi  Bi2  1  0.68  0.38  0.23  1.0
  Bi  Bi3  1  0.68  0.38  0.77  1.0

Be Co Bi Bi