data_[Sc4Si1Te2P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8419]
_cell_length_b [3.9387]
_cell_length_c [7.0581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sc4SiTe2P]
_chemical_formula_sum '[Sc4 Si1 Te2 P1]'
_cell_volume [180.0933]
_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  0.2350  0.5000  0.2090  1.0
  Sc  Sc1  2  0.2607  0.0000  0.7867  1.0
  Si  Si2  1  0.5000  0.5000  0.0000  1.0
  Te  Te3  1  0.0000  0.5000  0.5000  1.0
  Te  Te4  1  0.5000  0.0000  0.5000  1.0
  P  P5  1  0.0000  0.0000  0.0000  1.0
]