data_[La1Ga6Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.1650]
_cell_length_b [7.1650]
_cell_length_c [4.1092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [La(Ga3Cu2)2]
_chemical_formula_sum '[La1 Ga6 Cu4]'
_cell_volume [182.6930]
_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
[
  La  La0  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  3  0.1996  0.3993  0.5000  1.0
  Ga  Ga2  3  0.5362  0.0724  0.0000  1.0
  Cu  Cu3  3  0.4230  0.2115  0.5000  1.0
  Cu  Cu4  1  0.3333  0.6667  0.0000  1.0
]