data_[Sc10Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4532]
_cell_length_b [6.6989]
_cell_length_c [13.5283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sc5Cu6]
_chemical_formula_sum '[Sc10 Cu12]'
_cell_volume [403.5701]
_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
[
  Sc  Sc0  4  0.0000  0.0000  0.3278  1
  Sc  Sc1  4  0.0000  0.5000  0.3514  1
  Sc  Sc2  2  0.0000  0.5000  0.0000  1
  Cu  Cu3  8  0.0000  0.2688  0.1776  1
  Cu  Cu4  4  0.0000  0.2204  0.5000  1
]