data_[Sr1Sm2Tc1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  Tc  1.9000  1.3500  0.7417
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4221]
_cell_length_b [5.2008]
_cell_length_c [7.1022]
_cell_angle_alpha [89.8684]
_cell_angle_beta [73.4756]
_cell_angle_gamma [88.6950]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrSm2TcO8]
_chemical_formula_sum '[Sr1 Sm2 Tc1 O8]'
_cell_volume [156.5528]
_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  0.0000  0.0000  0.5000  1
  Sm  Sm1  2  0.3873  0.5098  0.7881  1
  Tc  Tc2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.1726  0.2884  0.1007  1
  O  O4  2  0.2166  0.7697  0.1186  1
  O  O5  2  0.2326  0.4992  0.5054  1
  O  O6  2  0.3392  0.9905  0.7556  1
]