data_Ge2MoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   38.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2MoSe
_chemical_formula_sum   'Ge2 Mo1 Se1'
_cell_volume   70.58
_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
  Ge  Ge0  1  0.15  0.0  0.71  1.0
  Ge  Ge1  1  0.0  0.0  0.76  1.0
  Mo  Mo2  1  0.15  0.0  0.68  1.0
  Se  Se3  1  0.0  0.0  0.2  1.0

data_Ge2MoSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.31
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   109.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2MoSe
_chemical_formula_sum   'Ge2 Mo1 Se1'
_cell_volume   70.58
_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
  Ge  Ge0  1  0.24  0.0  0.24  1.0
  Ge  Ge1  1  0.29  0.15  0.29  1.0
  Mo  Mo2  1  0.32  0.15  0.32  1.0
  Se  Se3  1  0.8  0.0  0.8  1.0

Ge Ge Mo Se