data_[Sc4Cu4Te4O4]
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
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.6153]
_cell_length_b [5.6133]
_cell_length_c [10.8917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [ScCuTeO]
_chemical_formula_sum '[Sc4 Cu4 Te4 O4]'
_cell_volume [342.5978]
_cell_formula_units_Z [4]
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  0.0087  0.3199  0.5784  1
  Sc  Sc1  2  0.4930  0.3176  0.4220  1
  Cu  Cu2  2  0.2341  0.6032  0.9957  1
  Cu  Cu3  2  0.4993  0.8400  0.2141  1
  Te  Te4  2  0.1976  0.5453  0.2148  1
  Te  Te5  2  0.2064  0.6433  0.7724  1
  O  O6  2  0.2496  0.0664  0.5000  1
  O  O7  2  0.2506  0.5642  0.4966  1
]