data_[Sc4Sb2As1P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8454]
_cell_length_b [3.9400]
_cell_length_c [7.0235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sc4Sb2AsP]
_chemical_formula_sum '[Sc4 Sb2 As1 P1]'
_cell_volume [179.2623]
_cell_formula_units_Z [1]
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  0.2360  0.5000  0.2220  1
  Sc  Sc1  2  0.2539  0.0000  0.7753  1
  Sb  Sb2  1  0.0000  0.5000  0.5000  1
  Sb  Sb3  1  0.5000  0.0000  0.5000  1
  As  As4  1  0.5000  0.5000  0.0000  1
  P  P5  1  0.0000  0.0000  0.0000  1
]