data_[Sc4In5Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4937]
_cell_length_b [3.3675]
_cell_length_c [9.2716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sc4In5Cu2]
_chemical_formula_sum '[Sc4 In5 Cu2]'
_cell_volume [233.3791]
_cell_formula_units_Z [1]
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  2  0.1929  0.5000  0.8510  1.0
  Sc  Sc1  2  0.2150  0.5000  0.4318  1.0
  In  In2  2  0.1520  0.0000  0.1414  1.0
  In  In3  2  0.4558  0.0000  0.6648  1.0
  In  In4  1  0.5000  0.0000  0.0000  1.0
  Cu  Cu5  2  0.0736  0.0000  0.6292  1.0
]