data_Mn3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   4.48
_cell_length_c   4.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3C
_chemical_formula_sum   'Mn6 C2'
_cell_volume   74.95
_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  Mn2  1  0.9  0.0  0.53  1.0
  Mn  Mn3  1  0.0  0.24  0.88  1.0
  Mn  Mn4  1  0.0  0.17  0.8  1.0
  Mn  Mn5  1  0.0  0.31  0.8  1.0
  Mn  Mn6  1  0.9  0.41  0.6  1.0
  Mn  Mn7  1  0.9  0.07  0.6  1.0
  C  C0  1  0.0  0.0  0.67  1.0
  C  C1  1  0.9  0.24  0.74  1.0

data_Mn3C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.4
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3C
_chemical_formula_sum   'Mn6 C2'
_cell_volume   74.95
_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  Mn0  1  0.0  0.12  0.76  1.0
  Mn  Mn1  1  0.0  0.2  0.69  1.0
  Mn  Mn2  1  0.0  0.2  0.83  1.0
  Mn  Mn3  1  0.1  0.4  0.59  1.0
  Mn  Mn4  1  0.1  0.4  0.93  1.0
  Mn  Mn5  1  0.1  0.47  0.0  1.0
  C  C6  1  0.0  0.33  0.0  1.0
  C  C7  1  0.1  0.26  0.76  1.0

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