data_[Mn2H2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4334]
_cell_length_b [2.9528]
_cell_length_c [6.2791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnHS]
_chemical_formula_sum '[Mn2 H2 S2]'
_cell_volume [79.6752]
_cell_formula_units_Z [2]
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  2  0.2405  0.2500  0.5170  1.0
  H  H1  2  0.3596  0.7500  0.3769  1.0
  S  S2  2  0.1716  0.7500  0.7618  1.0
]