data_KGeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   6.0
_cell_angle_alpha   102.06
_cell_angle_beta   102.06
_cell_angle_gamma   36.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGeAs2
_chemical_formula_sum   'K1 Ge1 As2'
_cell_volume   113.07
_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
  K  K3  1  0.85  0.0  0.49  1.0
  Ge  Ge2  1  0.89  0.0  0.46  1.0
  As  As0  1  0.92  0.0  0.27  1.0
  As  As1  1  0.25  0.0  0.42  1.0

data_KGeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.69
_cell_length_c   6.0
_cell_angle_alpha   102.06
_cell_angle_beta   90.0
_cell_angle_gamma   108.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGeAs2
_chemical_formula_sum   'K1 Ge1 As2'
_cell_volume   113.07
_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
  K  K0  1  0.0  0.15  0.51  1.0
  Ge  Ge1  1  0.0  0.11  0.54  1.0
  As  As2  1  0.0  0.08  0.73  1.0
  As  As3  1  0.0  0.75  0.58  1.0

K Ge As As
K Ge As As 0 1 o o o 1 2 o o o 1 3 + o o 2 3 + o o 