data_[Sc2Co2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.2087]
_cell_length_b [3.8489]
_cell_length_c [7.6901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ScCoSi2]
_chemical_formula_sum '[Sc2 Co2 Si4]'
_cell_volume [122.2430]
_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  0.0843  0.2500  0.1965  1.0
  Co  Co1  2  0.3788  0.2500  0.6143  1.0
  Si  Si2  2  0.1672  0.7500  0.4850  1.0
  Si  Si3  2  0.4510  0.2500  0.9072  1.0
]