data_[Lu16Mn8Cu12C12]
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
  Cu  1.9000  1.3500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5735]
_cell_length_b [5.5413]
_cell_length_c [15.8013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Mn2(CuC)3]
_chemical_formula_sum '[Lu16 Mn8 Cu12 C12]'
_cell_volume [823.8038]
_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  8  0.1123  0.0662  0.0917  1
  Lu  Lu1  8  0.2129  0.0914  0.4083  1
  Mn  Mn2  8  0.0795  0.4056  0.9515  1
  Cu  Cu3  8  0.2331  0.3477  0.2489  1
  Cu  Cu4  4  0.0000  0.0644  0.2500  1
  C  C5  8  0.0747  0.2743  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]