data_[Sc6Co18P12]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6234]
_cell_length_b [3.5674]
_cell_length_c [8.9112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScCo3P2]
_chemical_formula_sum '[Sc6 Co18 P12]'
_cell_volume [443.4260]
_cell_formula_units_Z [6]
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  4  0.1553  0.0000  0.6950  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  Co  Co2  4  0.0420  0.0000  0.3309  1
  Co  Co3  4  0.1219  0.5000  0.2057  1
  Co  Co4  4  0.1789  0.5000  0.9645  1
  Co  Co5  4  0.2173  0.0000  0.3926  1
  Co  Co6  2  0.0000  0.5000  0.5000  1
  P  P7  4  0.0390  0.5000  0.7820  1
  P  P8  4  0.1391  0.5000  0.4565  1
  P  P9  4  0.1973  0.0000  0.1324  1
]