data_[Sr12Tl2H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0653]
_cell_length_b [4.2236]
_cell_length_c [12.4151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6TlH2]
_chemical_formula_sum '[Sr12 Tl2 H4]'
_cell_volume [692.3551]
_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  4  0.0080  0.0000  0.7731  1.0
  Sr  Sr1  4  0.1643  0.5000  0.0907  1.0
  Sr  Sr2  4  0.1994  0.5000  0.6180  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5000  1.0
  H  H4  4  0.1566  0.0000  0.1972  1.0
]