data_BeCrBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   7.12
_cell_angle_alpha   104.65
_cell_angle_beta   104.65
_cell_angle_gamma   58.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrBi2
_chemical_formula_sum   'Be1 Cr1 Bi2'
_cell_volume   86.67
_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  0.14  0.0  0.62  1.0
  Cr  Cr3  1  0.37  0.0  0.06  1.0
  Bi  Bi1  1  0.67  0.0  0.04  1.0
  Bi  Bi2  1  0.58  0.0  0.32  1.0

data_BeCrBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.87
_cell_length_c   7.12
_cell_angle_alpha   104.65
_cell_angle_beta   90.0
_cell_angle_gamma   119.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrBi2
_chemical_formula_sum   'Be1 Cr1 Bi2'
_cell_volume   86.67
_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  0.86  0.38  1.0
  Cr  Cr1  1  0.0  0.63  0.94  1.0
  Bi  Bi2  1  0.0  0.33  0.96  1.0
  Bi  Bi3  1  0.0  0.42  0.68  1.0

Be Cr Bi Bi