data_[Sr2Nb2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3741]
_cell_length_b [4.3741]
_cell_length_c [10.1669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SrNbCu]
_chemical_formula_sum '[Sr2 Nb2 Cu2]'
_cell_volume [168.4571]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  1  0.0000  0.0000  0.7261  1
  Sr  Sr1  1  0.3333  0.6667  0.0855  1
  Nb  Nb2  1  0.3333  0.6667  0.4510  1
  Nb  Nb3  1  0.6667  0.3333  0.3104  1
  Cu  Cu4  1  0.0000  0.0000  0.3181  1
  Cu  Cu5  1  0.6667  0.3333  0.5574  1
]