data_BiC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   5.0
_cell_angle_alpha   94.57
_cell_angle_beta   94.57
_cell_angle_gamma   120.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiC2
_chemical_formula_sum   'Bi3 C6'
_cell_volume   187.97
_cell_formula_units_Z   3
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
  Bi  Bi0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.89  0.05  0.47  1.0
  Bi  Bi2  1  0.89  0.95  0.47  1.0
  C  C3  1  0.59  0.47  0.35  1.0
  C  C4  1  0.79  0.0  0.45  1.0
  C  C5  1  0.59  0.53  0.35  1.0
  C  C6  1  0.18  0.47  0.58  1.0
  C  C7  1  0.98  0.0  0.49  1.0
  C  C8  1  0.18  0.53  0.58  1.0

data_BiC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.0
_cell_length_b   6.58
_cell_length_c   6.66
_cell_angle_alpha   60.4
_cell_angle_beta   85.43
_cell_angle_gamma   80.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiC2
_chemical_formula_sum   'Bi3 C6'
_cell_volume   187.97
_cell_formula_units_Z   3
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
  Bi  Bi0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.53  0.05  0.84  1.0
  Bi  Bi2  1  0.53  0.95  0.93  1.0
  C  C3  1  0.42  0.47  0.71  1.0
  C  C4  1  0.42  0.53  0.65  1.0
  C  C5  1  0.51  0.0  0.98  1.0
  C  C6  1  0.55  0.0  0.79  1.0
  C  C7  1  0.65  0.47  0.12  1.0
  C  C8  1  0.65  0.53  0.06  1.0

Bi Bi Bi C C C C C C