data_MnC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   148.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnC2
_chemical_formula_sum   'Mn2 C4'
_cell_volume   45.15
_cell_formula_units_Z   2
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  Mn4  1  0.23  0.58  0.15  1.0
  Mn  Mn5  1  0.23  0.42  0.05  1.0
  C  C0  1  0.23  0.99  0.15  1.0
  C  C1  1  0.23  0.15  0.15  1.0
  C  C2  1  0.23  0.85  0.05  1.0
  C  C3  1  0.23  0.01  0.05  1.0

data_MnC2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.46
_cell_length_b   4.2
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   105.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnC2
_chemical_formula_sum   'Mn2 C4'
_cell_volume   45.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.42  0.55  0.92  1.0
  C  C1  2  0.01  0.55  0.51  1.0
  C  C2  2  0.15  0.45  0.65  1.0

Mn Mn C C C C
Mn Mn C C C C 0 1 o o o 2 5 o + o 2 3 o + o 2 4 o o o 3 5 o o o 4 5 o + o 