data_[Li2Ca2Te2Se2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1711]
_cell_length_b [4.3647]
_cell_length_c [5.9997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiCaTeSeF]
_chemical_formula_sum '[Li2 Ca2 Te2 Se2 F2]'
_cell_volume [249.1688]
_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
[
  Li  Li0  2  0.3237  0.5000  0.8123  1
  Ca  Ca1  2  0.2298  0.0000  0.3299  1
  Te  Te2  2  0.4700  0.0000  0.1873  1
  Se  Se3  2  0.2018  0.0000  0.8091  1
  F  F4  2  0.2941  0.5000  0.4739  1
]