data_[Mn2Ge2C2Se2]
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
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.5663]
_cell_length_b [3.2141]
_cell_length_c [7.9131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnGeCSe]
_chemical_formula_sum '[Mn2 Ge2 C2 Se2]'
_cell_volume [136.4603]
_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  0.2642  0.5000  0.1235  1
  Ge  Ge1  2  0.3353  0.0000  0.8709  1
  Se  Se2  2  0.0191  0.5000  0.3565  1
  C  C3  2  0.0764  0.0000  0.0675  1
]