data_[Sr1Tl3As3]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1189]
_cell_length_b [6.1424]
_cell_length_c [21.4242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr(TlAs)3]
_chemical_formula_sum '[Sr1 Tl3 As3]'
_cell_volume [542.0291]
_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  0.5000  0.5000  0.3692  1
  Tl  Tl1  2  0.0000  0.2599  0.5997  1
  Tl  Tl2  1  0.0000  0.0000  0.3526  1
  As  As3  2  0.0000  0.3030  0.4631  1
  As  As4  1  0.5000  0.0000  0.6525  1
]