data_[Sr2Tm1In1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8508]
_cell_length_b [9.4192]
_cell_length_c [7.1594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr2TmInBr8]
_chemical_formula_sum '[Sr2 Tm1 In1 Br8]'
_cell_volume [461.9919]
_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  0.2500  0.5000  1.0
  Tm  Tm1  1  0.0000  0.0000  0.0000  1.0
  In  In2  1  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.2270  0.2110  0.1575  1.0
  Br  Br4  2  0.2503  0.0000  0.6817  1.0
  Br  Br5  2  0.2667  0.5000  0.6386  1.0
]