data_[Sr4Nb4Cu4]
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 [C2/m]
_cell_length_a [12.0061]
_cell_length_b [3.6342]
_cell_length_c [6.6022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrNbCu]
_chemical_formula_sum '[Sr4 Nb4 Cu4]'
_cell_volume [277.5623]
_cell_formula_units_Z [4]
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  4  0.0101  0.0000  0.2605  1
  Nb  Nb1  4  0.2060  0.5000  0.1034  1
  Cu  Cu2  4  0.2083  0.5000  0.5937  1
]