data_[Sc4Ta1Co5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1168]
_cell_length_b [3.1168]
_cell_length_c [15.6181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sc4TaCo5]
_chemical_formula_sum '[Sc4 Ta1 Co5]'
_cell_volume [151.7240]
_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  0.0000  0.0000  0.2012  1
  Sc  Sc1  2  0.0000  0.0000  0.4001  1
  Ta  Ta2  1  0.0000  0.0000  0.0000  1
  Co  Co3  2  0.5000  0.5000  0.0879  1
  Co  Co4  2  0.5000  0.5000  0.2969  1
  Co  Co5  1  0.5000  0.5000  0.5000  1
]