data_[Sr1Tc1B1O6]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1380]
_cell_length_b [5.1995]
_cell_length_c [5.3715]
_cell_angle_alpha [89.7174]
_cell_angle_beta [68.8615]
_cell_angle_gamma [89.8890]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrTcBO6]
_chemical_formula_sum '[Sr1 Tc1 B1 O6]'
_cell_volume [133.8405]
_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  1  0.0064  0.9888  0.0188  1
  Tc  Tc1  1  0.6669  0.4783  0.6301  1
  B  B2  1  0.5283  0.5548  0.1370  1
  O  O3  1  0.3594  0.2896  0.7130  1
  O  O4  1  0.3731  0.6840  0.0211  1
  O  O5  1  0.5927  0.6622  0.3507  1
  O  O6  1  0.6789  0.3436  0.0076  1
  O  O7  1  0.8742  0.7384  0.6721  1
  O  O8  1  0.9199  0.2603  0.4498  1
]