data_[Sr3Mn2Tc1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  Tc  1.9000  1.3500  0.7417
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6471]
_cell_length_b [5.6471]
_cell_length_c [7.4580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr3Mn2TcO8]
_chemical_formula_sum '[Sr3 Mn2 Tc1 O8]'
_cell_volume [205.9700]
_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  0.3333  0.6667  0.6311  1
  Sr  Sr1  1  0.0000  0.0000  0.0000  1
  Mn  Mn2  2  0.3333  0.6667  0.1891  1
  Tc  Tc3  1  0.0000  0.0000  0.5000  1
  O  O4  6  0.1596  0.3192  0.3456  1
  O  O5  2  0.3333  0.6667  0.9356  1
]