data_[Sr2Tl4In2As4]
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
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.5555]
_cell_length_b [10.1415]
_cell_length_c [7.6068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [SrTl2InAs2]
_chemical_formula_sum '[Sr2 Tl4 In2 As4]'
_cell_volume [351.4303]
_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
[
  Sr  Sr0  2  0.0000  0.4122  0.0042  1.0
  Tl  Tl1  2  0.0000  0.1684  0.3329  1.0
  Tl  Tl2  2  0.5000  0.0503  0.0315  1.0
  In  In3  2  0.5000  0.3207  0.6466  1.0
  As  As4  2  0.0000  0.1722  0.7311  1.0
  As  As5  2  0.5000  0.4220  0.2994  1.0
]