data_[Mn2As1H1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9364]
_cell_length_b [4.9845]
_cell_length_c [5.6589]
_cell_angle_alpha [64.7589]
_cell_angle_beta [89.0154]
_cell_angle_gamma [61.2834]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn2AsHO6]
_chemical_formula_sum '[Mn2 As1 H1 O6]'
_cell_volume [107.3189]
_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  0.5346  0.9217  0.5816  1.0
  Mn  Mn1  1  0.9885  0.9910  0.0275  1.0
  As  As2  1  0.3268  0.3283  0.9936  1.0
  H  H3  1  0.8959  0.4879  0.2506  1.0
  O  O4  1  0.0886  0.5036  0.2466  1.0
  O  O5  1  0.2346  0.7762  0.8155  1.0
  O  O6  1  0.3468  0.9183  0.2315  1.0
  O  O7  1  0.5903  0.1576  0.8006  1.0
  O  O8  1  0.6930  0.1661  0.2302  1.0
  O  O9  1  0.9626  0.4260  0.8070  1.0
]