data_[Lu8Mn16Ga12C12]
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
  Ga  1.8100  1.3000  0.7600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0104]
_cell_length_b [5.2340]
_cell_length_c [13.1085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2Mn4(GaC)3]
_chemical_formula_sum '[Lu8 Mn16 Ga12 C12]'
_cell_volume [601.9674]
_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  0.0406  0.4199  0.3817  1
  Mn  Mn1  8  0.1059  0.0949  0.5706  1
  Mn  Mn2  8  0.2329  0.0794  0.9293  1
  Ga  Ga3  8  0.2448  0.3392  0.7490  1
  Ga  Ga4  4  0.0000  0.0728  0.7500  1
  C  C5  8  0.0896  0.2307  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]