data_MnGeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   95.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGeSe2
_chemical_formula_sum   'Mn1 Ge1 Se2'
_cell_volume   85.09
_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  Mn1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.5  0.0  0.25  1.0
  Se  Se2  1  0.75  0.81  0.59  1.0
  Se  Se3  1  0.25  0.81  0.91  1.0

data_MnGeSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   95.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGeSe2
_chemical_formula_sum   'Mn1 Ge1 Se2'
_cell_volume   85.09
_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  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.5  0.0  0.25  1.0
  Se  Se2  1  0.25  0.81  0.91  1.0
  Se  Se3  1  0.75  0.81  0.59  1.0

Mn Ge Se Se