data_[La2Mn10C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9687]
_cell_length_b [6.0802]
_cell_length_c [8.2699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaMn5C4]
_chemical_formula_sum '[La2 Mn10 C8]'
_cell_volume [246.0267]
_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
[
  La  La0  2  0.0368  0.2500  0.1647  1
  Mn  Mn1  4  0.2521  0.0123  0.5291  1
  Mn  Mn2  4  0.4611  0.0415  0.8543  1
  Mn  Mn3  2  0.1006  0.7500  0.2857  1
  C  C4  4  0.3899  0.5253  0.3353  1
  C  C5  2  0.0131  0.7500  0.5064  1
  C  C6  2  0.5000  0.2500  0.0331  1
]