data_[Sc4Co2As2]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4039]
_cell_length_b [3.9025]
_cell_length_c [7.2080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc2CoAs]
_chemical_formula_sum '[Sc4 Co2 As2]'
_cell_volume [141.8732]
_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  0.2080  0.7500  0.4487  1.0
  Sc  Sc1  2  0.2248  0.7500  0.9046  1.0
  Co  Co2  2  0.3570  0.2500  0.7164  1.0
  As  As3  2  0.3320  0.2500  0.2093  1.0
]