data_[Lu4Cu1As1C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5827]
_cell_length_b [3.5827]
_cell_length_c [13.3161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Lu4CuAsC2]
_chemical_formula_sum '[Lu4 Cu1 As1 C2]'
_cell_volume [148.0197]
_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  0.0000  0.0000  0.3464  1
  Lu  Lu1  2  0.6667  0.3333  0.1516  1
  Cu  Cu2  1  0.6667  0.3333  0.5000  1
  As  As3  1  0.0000  0.0000  0.0000  1
  C  C4  2  0.3333  0.6667  0.2538  1
]