data_[Lu4Ni2C5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ni  1.9100  1.3500  0.7400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5177]
_cell_length_b [11.3850]
_cell_length_c [3.6471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Lu4Ni2C5]
_chemical_formula_sum '[Lu4 Ni2 C5]'
_cell_volume [146.0622]
_cell_formula_units_Z [1]
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  2  0.5000  0.2021  0.5023  1.0
  Lu  Lu1  1  0.0000  0.0000  0.0000  1.0
  Lu  Lu2  1  0.5000  0.5000  0.2097  1.0
  Ni  Ni3  2  0.0000  0.3847  0.6990  1.0
  C  C4  2  0.0000  0.2275  0.9988  1.0
  C  C5  2  0.0000  0.3321  0.1996  1.0
  C  C6  1  0.5000  0.0000  0.4924  1.0
]