data_[Sr2Tl2Ga2]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.6617]
_cell_length_b [4.4678]
_cell_length_c [8.7744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrTlGa]
_chemical_formula_sum '[Sr2 Tl2 Ga2]'
_cell_volume [180.7981]
_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  0.0595  0.2500  0.2054  1.0
  Tl  Tl1  2  0.3391  0.2500  0.5890  1.0
  Ga  Ga2  2  0.4939  0.2500  0.9250  1.0
]