data_[Sc2P10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8061]
_cell_length_b [9.1873]
_cell_length_c [5.2030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1822]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ScP5]
_chemical_formula_sum '[Sc2 P10]'
_cell_volume [223.6835]
_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  0.0033  0.7500  0.6540  1.0
  P  P1  4  0.2754  0.5275  0.4059  1.0
  P  P2  4  0.3815  0.5954  0.0385  1.0
  P  P3  2  0.2570  0.2500  0.8840  1.0
]