data_[Sc4Cu2Re2]
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
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2021]
_cell_length_b [3.0461]
_cell_length_c [4.7666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sc2CuRe]
_chemical_formula_sum '[Sc4 Cu2 Re2]'
_cell_volume [141.5711]
_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  2  0.0229  0.0000  0.0577  1
  Sc  Sc1  2  0.2301  0.0000  0.6965  1
  Re  Re2  2  0.2714  0.5000  0.2225  1
  Cu  Cu3  2  0.4756  0.0000  0.5233  1
]