data_[Sc4V4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.5240]
_cell_length_b [8.5340]
_cell_length_c [6.5886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [ScVP]
_chemical_formula_sum '[Sc4 V4 P4]'
_cell_volume [198.1469]
_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  2  0.0000  0.1300  0.6517  1
  Sc  Sc1  2  0.0000  0.4472  0.0386  1
  V  V2  2  0.5000  0.1820  0.0368  1
  V  V3  2  0.5000  0.3324  0.3486  1
  P  P4  2  0.5000  0.0567  0.3548  1
  P  P5  2  0.5000  0.3721  0.7437  1
]