data_[Lu16Mn8Bi12C12]
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
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1789]
_cell_length_b [5.8664]
_cell_length_c [16.1630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Mn2(BiC)3]
_chemical_formula_sum '[Lu16 Mn8 Bi12 C12]'
_cell_volume [944.8789]
_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  0.1114  0.0673  0.5846  1
  Lu  Lu1  8  0.2137  0.0914  0.9153  1
  Mn  Mn2  8  0.0807  0.4067  0.4592  1
  Bi  Bi3  8  0.1643  0.4197  0.7490  1
  Bi  Bi4  4  0.0000  0.0920  0.2500  1
  C  C5  8  0.0757  0.2730  0.0003  1
  C  C6  4  0.2500  0.2500  0.5000  1
]