data_[Sr4Tl2Bi2As2]
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
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4142]
_cell_length_b [4.7875]
_cell_length_c [9.0781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr2TlBiAs]
_chemical_formula_sum '[Sr4 Tl2 Bi2 As2]'
_cell_volume [333.0024]
_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  0.0611  0.7500  0.2056  1.0
  Sr  Sr1  2  0.4515  0.2500  0.1585  1.0
  Tl  Tl2  2  0.1178  0.7500  0.6011  1.0
  Bi  Bi3  2  0.3566  0.2500  0.5118  1.0
  As  As4  2  0.2214  0.7500  0.9492  1.0
]