data_[Cs2Ca2Cr2O8]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8803]
_cell_length_b [6.0508]
_cell_length_c [7.9453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCaCrO4]
_chemical_formula_sum '[Cs2 Ca2 Cr2 O8]'
_cell_volume [270.9764]
_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  0.2772  0.2500  0.0647  1.0
  Ca  Ca1  2  0.1997  0.2500  0.5406  1.0
  Cr  Cr2  2  0.2591  0.7500  0.3522  1.0
  O  O3  4  0.0619  0.5268  0.3299  1.0
  O  O4  2  0.4204  0.7500  0.2037  1.0
  O  O5  2  0.4428  0.7500  0.5594  1.0
]