data_[Sc4Co2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3650]
_cell_length_b [3.0194]
_cell_length_c [7.3608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2CoCu]
_chemical_formula_sum '[Sc4 Co2 Cu2]'
_cell_volume [140.0408]
_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  0.2486  0.5000  0.7772  1
  Co  Co1  2  0.0000  0.5000  0.0000  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
]