data_[Mn2Te1H1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1210]
_cell_length_b [5.3286]
_cell_length_c [5.6860]
_cell_angle_alpha [113.4900]
_cell_angle_beta [91.1915]
_cell_angle_gamma [117.9053]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn2TeHO6]
_chemical_formula_sum '[Mn2 Te1 H1 O6]'
_cell_volume [121.5702]
_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
[
  Mn  Mn0  1  0.0218  0.0062  0.0268  1.0
  Mn  Mn1  1  0.5475  0.0877  0.5882  1.0
  Te  Te2  1  0.3446  0.6568  0.9887  1.0
  H  H3  1  0.6248  0.5403  0.2694  1.0
  O  O4  1  0.1481  0.8393  0.2375  1.0
  O  O5  1  0.2528  0.8487  0.7949  1.0
  O  O6  1  0.4199  0.5129  0.2553  1.0
  O  O7  1  0.5927  0.5421  0.7793  1.0
  O  O8  1  0.7284  0.0592  0.2246  1.0
  O  O9  1  0.9810  0.2299  0.8200  1.0
]