data_[Ca4Mn4C4N2]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2106]
_cell_length_b [3.3615]
_cell_length_c [6.2946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Mn2C2N]
_chemical_formula_sum '[Ca4 Mn4 C4 N2]'
_cell_volume [179.5425]
_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  0.0669  0.5000  0.3296  1.0
  Mn  Mn1  4  0.1977  0.0000  0.0805  1.0
  C  C2  4  0.2011  0.0000  0.7704  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
]