data_[Sr2Ho1Tl1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8825]
_cell_length_b [9.4377]
_cell_length_c [7.1820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr2HoTlBr8]
_chemical_formula_sum '[Sr2 Ho1 Tl1 Br8]'
_cell_volume [466.5091]
_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  2  0.5000  0.2501  0.5000  1
  Ho  Ho1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  1  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.2293  0.2111  0.1586  1
  Br  Br4  2  0.2515  0.0000  0.6805  1
  Br  Br5  2  0.2674  0.5000  0.6350  1
]