data_[Cs2Ca2H4Se2F2]
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
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.7659]
_cell_length_b [4.1050]
_cell_length_c [15.3051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsCaH2SeF]
_chemical_formula_sum '[Cs2 Ca2 H4 Se2 F2]'
_cell_volume [236.5996]
_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  0.0000  0.0000  0.0509  1
  Ca  Ca1  2  0.0000  0.0000  0.8111  1
  H  H2  4  0.1010  0.5000  0.7161  1
  Se  Se3  2  0.0000  0.0000  0.3962  1
  F  F4  2  0.0000  0.5000  0.2115  1
]