data_[Cs2Ca2P2O8]
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 [P2_1/m]
_cell_length_a [5.6636]
_cell_length_b [5.8582]
_cell_length_c [7.9577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCaPO4]
_chemical_formula_sum '[Cs2 Ca2 P2 O8]'
_cell_volume [251.1130]
_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  0.3007  0.2500  0.0719  1.0
  Ca  Ca1  2  0.2203  0.2500  0.5368  1.0
  P  P2  2  0.2310  0.7500  0.3480  1.0
  O  O3  4  0.0551  0.5372  0.3211  1.0
  O  O4  2  0.3897  0.7500  0.2197  1.0
  O  O5  2  0.4097  0.7500  0.5409  1.0
]