data_[Sc6Bi2P2O2]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4906]
_cell_length_b [3.7371]
_cell_length_c [8.4920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc3BiPO]
_chemical_formula_sum '[Sc6 Bi2 P2 O2]'
_cell_volume [261.6698]
_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  0.1357  0.2500  0.8453  1.0
  Sc  Sc1  2  0.1584  0.7500  0.5222  1.0
  Sc  Sc2  2  0.4374  0.7500  0.1431  1.0
  Bi  Bi3  2  0.1806  0.2500  0.2228  1.0
  P  P4  2  0.3468  0.7500  0.8279  1.0
  O  O5  2  0.0870  0.2500  0.5928  1.0
]