data_[Sc12Bi2As6P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9750]
_cell_length_b [3.8855]
_cell_length_c [7.8672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc6BiAs3P2]
_chemical_formula_sum '[Sc12 Bi2 As6 P4]'
_cell_volume [506.2571]
_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  4  0.0059  0.0000  0.2739  1.0
  Sc  Sc1  4  0.1705  0.5000  0.5795  1.0
  Sc  Sc2  4  0.1772  0.5000  0.0985  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1624  0.0000  0.8322  1.0
  As  As5  2  0.0000  0.5000  0.5000  1.0
  P  P6  4  0.1688  0.0000  0.3369  1.0
]