data_[Sc4Co20P12]
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 [Pnma]
_cell_length_a [11.5739]
_cell_length_b [3.5671]
_cell_length_c [10.1233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ScCo5P3]
_chemical_formula_sum '[Sc4 Co20 P12]'
_cell_volume [417.9390]
_cell_formula_units_Z [4]
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  0.2029  0.7500  0.4181  1
  Co  Co1  4  0.0080  0.2500  0.7813  1
  Co  Co2  4  0.0145  0.2500  0.4083  1
  Co  Co3  4  0.0691  0.2500  0.0336  1
  Co  Co4  4  0.1769  0.7500  0.7214  1
  Co  Co5  4  0.1997  0.7500  0.1167  1
  P  P6  4  0.1106  0.2500  0.5983  1
  P  P7  4  0.1148  0.7500  0.9184  1
  P  P8  4  0.1309  0.2500  0.2344  1
]