data_[Cs2Cr2P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cr  1.6600  1.4000  0.9400
  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 [5.3906]
_cell_length_b [5.8106]
_cell_length_c [7.8745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCrPO4]
_chemical_formula_sum '[Cs2 Cr2 P2 O8]'
_cell_volume [234.3913]
_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  0.3001  0.2500  0.0711  1.0
  Cr  Cr1  2  0.2319  0.2500  0.5400  1.0
  P  P2  2  0.2385  0.7500  0.3570  1.0
  O  O3  4  0.0540  0.5371  0.3325  1.0
  O  O4  2  0.4055  0.7500  0.2259  1.0
  O  O5  2  0.4462  0.7500  0.5462  1.0
]