data_[Ba2P10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4665]
_cell_length_b [9.7834]
_cell_length_c [5.8063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaP5]
_chemical_formula_sum '[Ba2 P10]'
_cell_volume [300.4574]
_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
[
  Ba  Ba0  2  0.4379  0.2500  0.1201  1
  P  P1  4  0.1084  0.5910  0.4623  1
  P  P2  4  0.1613  0.5564  0.0973  1
  P  P3  2  0.1814  0.2500  0.5614  1
]