data_FeGe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.85
_cell_angle_alpha   101.49
_cell_angle_beta   101.49
_cell_angle_gamma   36.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe2As
_chemical_formula_sum   'Fe1 Ge2 As1'
_cell_volume   65.61
_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
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.41  0.0  0.03  1.0
  Ge  Ge3  1  0.78  0.0  0.71  1.0
  As  As0  1  0.1  0.0  0.37  1.0

data_FeGe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.84
_cell_length_c   4.85
_cell_angle_alpha   101.49
_cell_angle_beta   90.0
_cell_angle_gamma   108.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe2As
_chemical_formula_sum   'Fe1 Ge2 As1'
_cell_volume   65.61
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.22  0.29  1.0
  Ge  Ge2  1  0.0  0.59  0.97  1.0
  As  As3  1  0.0  0.9  0.63  1.0

Fe Ge Ge As
Fe Ge Ge As 0 2 - o - 0 3 o o o 0 1 o o o 