data_[Sr1Tl1Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.6118]
_cell_length_b [15.0000]
_cell_length_c [6.7532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrTlCl]
_chemical_formula_sum '[Sr1 Tl1 Cl1]'
_cell_volume [529.5445]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.5000  1
  Tl  Tl1  1  0.5000  0.5000  0.0000  1
  Cl  Cl2  1  0.5000  0.5000  0.5000  1
]