data_[Ca1Tl1Se1Cl1O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2154]
_cell_length_b [4.2561]
_cell_length_c [8.2345]
_cell_angle_alpha [75.2015]
_cell_angle_beta [78.2589]
_cell_angle_gamma [73.5768]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CaTlSeClO]
_chemical_formula_sum '[Ca1 Tl1 Se1 Cl1 O1]'
_cell_volume [135.6320]
_cell_formula_units_Z [1]
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
[
  Ca  Ca0  1  0.6637  0.6409  0.1946  1
  Tl  Tl1  1  0.1611  0.9944  0.7411  1
  Se  Se2  1  0.5119  0.3392  0.9442  1
  Cl  Cl3  1  0.7146  0.0108  0.4167  1
  O  O4  1  0.2133  0.5630  0.1028  1
]