data_[Sr2Tc4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tc  1.9000  1.3500  0.7417
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.7734]
_cell_length_b [3.7391]
_cell_length_c [7.9714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrTc2Br]
_chemical_formula_sum '[Sr2 Tc4 Br2]'
_cell_volume [198.5540]
_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  0.2227  0.5000  0.2309  1
  Tc  Tc1  2  0.3406  0.0000  0.9358  1
  Tc  Tc2  2  0.4777  0.5000  0.8129  1
  Br  Br3  2  0.4589  0.0000  0.5204  1
]