data_[Y4Sc6Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9428]
_cell_length_b [3.4592]
_cell_length_c [8.6920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Sc3Cu2]
_chemical_formula_sum '[Y4 Sc6 Cu4]'
_cell_volume [321.1749]
_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
[
  Y  Y0  4  0.1491  0.0000  0.8061  1
  Sc  Sc1  4  0.1169  0.5000  0.4443  1
  Sc  Sc2  2  0.0000  0.5000  0.0000  1
  Cu  Cu3  4  0.1648  0.0000  0.2320  1
]