data_[Lu4Mn4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.1214]
_cell_length_b [5.1247]
_cell_length_c [7.4502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LuMnC2]
_chemical_formula_sum '[Lu4 Mn4 C8]'
_cell_volume [192.9151]
_cell_formula_units_Z [4]
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
[
  Lu  Lu0  4  0.0048  0.0633  0.9916  1.0
  Mn  Mn1  4  0.0541  0.4363  0.6931  1.0
  C  C2  4  0.3255  0.1923  0.7780  1.0
  C  C3  4  0.4821  0.0741  0.9341  1.0
]