data_[Mn4Ge2H2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.5584]
_cell_length_b [2.9525]
_cell_length_c [2.9875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mn2GeHSe]
_chemical_formula_sum '[Mn4 Ge2 H2 Se2]'
_cell_volume [118.8085]
_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  0.0625  0.0000  0.3736  1
  Mn  Mn1  2  0.2853  0.0000  0.6583  1
  Ge  Ge2  2  0.1565  0.5000  0.9291  1
  H  H3  2  0.0122  0.5000  0.4592  1
  Se  Se4  2  0.3796  0.5000  0.1913  1
]