data_[Sc1Ta1Co1Ru1]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1509]
_cell_length_b [3.1509]
_cell_length_c [6.3795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [ScTaCoRu]
_chemical_formula_sum '[Sc1 Ta1 Co1 Ru1]'
_cell_volume [63.3366]
_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  1  0.5000  0.5000  0.6105  1.0
  Ta  Ta1  1  0.5000  0.5000  0.1018  1.0
  Co  Co2  1  0.0000  0.0000  0.8746  1.0
  Ru  Ru3  1  0.0000  0.0000  0.3410  1.0
]