data_MnC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   12.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnC2
_chemical_formula_sum   'Mn3 C6'
_cell_volume   80.49
_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
  Mn  Mn6  1  0.0  0.0  0.0  1.0
  Mn  Mn7  1  0.0  0.59  0.32  1.0
  Mn  Mn8  1  0.38  0.79  0.94  1.0
  C  C0  1  0.0  0.0  0.43  1.0
  C  C1  1  0.0  0.0  0.82  1.0
  C  C2  1  0.0  0.59  0.57  1.0
  C  C3  1  0.38  0.79  0.68  1.0
  C  C4  1  0.0  0.59  0.24  1.0
  C  C5  1  0.38  0.79  0.02  1.0

data_MnC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   12.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnC2
_chemical_formula_sum   'Mn3 C6'
_cell_volume   80.49
_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
  Mn  Mn0  1  -0.0  0.59  0.32  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.38  0.79  0.94  1.0
  C  C3  1  -0.0  0.59  0.24  1.0
  C  C4  1  -0.0  0.59  0.57  1.0
  C  C5  1  0.0  0.0  0.43  1.0
  C  C6  1  0.0  0.0  0.82  1.0
  C  C7  1  0.38  0.79  0.02  1.0
  C  C8  1  0.38  0.79  0.68  1.0

Mn Mn Mn C C C C C C
Mn Mn Mn C C C C C C 0 2 - - - 0 2 o - - 0 8 - - o 0 8 o - o 0 4 o o - 1 7 o o o 1 3 o o o 1 3 o + o 2 8 o o + 2 4 + + o 2 4 o o o 2 4 o + o 3 5 o - o 4 6 - - o 4 6 o - o 5 6 o o o 