data_[La3Co3Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2030]
_cell_length_b [4.2030]
_cell_length_c [14.1718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LaCoCu2]
_chemical_formula_sum '[La3 Co3 Cu6]'
_cell_volume [216.8123]
_cell_formula_units_Z [3]
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
[
  La  La0  3  0.0000  0.0000  0.5024  1.0
  Co  Co1  3  0.0000  0.0000  0.6865  1.0
  Cu  Cu2  3  0.0000  0.0000  0.0067  1.0
  Cu  Cu3  3  0.0000  0.0000  0.3050  1.0
]