data_[Ca4Pa4Si4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pa  1.5000  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9530]
_cell_length_b [9.2897]
_cell_length_c [7.8599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaPaSiO5]
_chemical_formula_sum '[Ca4 Pa4 Si4 O20]'
_cell_volume [474.4698]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  4  0.0000  0.3438  0.2500  1
  Pa  Pa1  4  0.0000  0.0000  0.0000  1
  Si  Si2  4  0.0000  0.3216  0.7500  1
  O  O3  8  0.1207  0.2159  0.6498  1
  O  O4  8  0.1568  0.4329  0.9014  1
  O  O5  4  0.0000  0.1017  0.2500  1
]