data_[Cs4Ca2P4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4233]
_cell_length_b [6.0035]
_cell_length_c [7.4934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cs2CaP2O7]
_chemical_formula_sum '[Cs4 Ca2 P4 O14]'
_cell_volume [413.3105]
_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
[
  Cs  Cs0  2  0.2158  0.0000  0.6695  1.0
  Cs  Cs1  2  0.2823  0.5000  0.3403  1.0
  Ca  Ca2  2  0.4987  0.5000  0.0018  1.0
  P  P3  2  0.0712  0.5000  0.7418  1.0
  P  P4  2  0.4197  0.0000  0.2566  1.0
  O  O5  4  0.0265  0.2865  0.8100  1.0
  O  O6  4  0.4844  0.2145  0.2197  1.0
  O  O7  2  0.2296  0.5000  0.7798  1.0
  O  O8  2  0.2537  0.0000  0.1566  1.0
  O  O9  2  0.4625  0.0000  0.4967  1.0
]