data_[Sc1Mn2Te1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3468]
_cell_length_b [5.3487]
_cell_length_c [5.6658]
_cell_angle_alpha [62.7917]
_cell_angle_beta [62.8305]
_cell_angle_gamma [62.4952]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ScMn2TeO6]
_chemical_formula_sum '[Sc1 Mn2 Te1 O6]'
_cell_volume [121.4692]
_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
[
  Sc  Sc0  1  0.8201  0.8064  0.5531  1
  Mn  Mn1  1  0.0380  0.0151  0.9208  1
  Mn  Mn2  1  0.5076  0.5182  0.4616  1
  Te  Te3  1  0.3345  0.2954  0.0736  1
  O  O4  1  0.1342  0.4234  0.7199  1
  O  O5  1  0.2365  0.8892  0.2571  1
  O  O6  1  0.4249  0.7032  0.7499  1
  O  O7  1  0.6308  0.2321  0.2487  1
  O  O8  1  0.6848  0.1320  0.7633  1
  O  O9  1  0.8500  0.6465  0.2673  1
]