data_[Ca6Mn2C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1071]
_cell_length_b [3.6808]
_cell_length_c [4.7579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3MnC4]
_chemical_formula_sum '[Ca6 Mn2 C8]'
_cell_volume [253.9706]
_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
[
  Ca  Ca0  4  0.1731  0.5000  0.2108  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.0000  1.0
  C  C3  4  0.0971  0.0000  0.8161  1.0
  C  C4  4  0.1500  0.0000  0.6361  1.0
]