data_BiC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   149.93
_cell_angle_beta   93.94
_cell_angle_gamma   93.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiC3
_chemical_formula_sum   'Bi1 C3'
_cell_volume   61.33
_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
  Bi  Bi0  1  0.0  0.43  0.0  1.0
  C  C1  1  0.0  0.56  0.43  1.0
  C  C2  1  0.0  0.0  0.0  1.0
  C  C3  1  0.3  0.86  0.0  1.0

data_BiC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   86.06
_cell_angle_beta   74.96
_cell_angle_gamma   74.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiC3
_chemical_formula_sum   'Bi1 C3'
_cell_volume   61.33
_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
  Bi  Bi0  1  0.43  0.0  0.57  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.56  0.0  0.87  1.0
  C  C3  1  0.86  0.7  0.14  1.0

Bi C C C
Bi C C C 0 1 o o o 1 2 o + + 1 2 o o o 2 3 o - o 