data_[Cs2Ca2Te2Se4]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [8.6549]
_cell_length_b [6.2419]
_cell_length_c [7.0681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CsCaTeSe2]
_chemical_formula_sum '[Cs2 Ca2 Te2 Se4]'
_cell_volume [357.0926]
_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  0.5000  0.2041  0.7500  1
  Ca  Ca1  2  0.0000  0.4925  0.2500  1
  Te  Te2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.2460  0.3153  0.1034  1
]