data_KSrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   132.64
_cell_angle_beta   132.64
_cell_angle_gamma   69.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrGe2
_chemical_formula_sum   'K1 Sr1 Ge2'
_cell_volume   109.31
_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  K2  1  0.0  0.0  0.0  1.0
  Sr  Sr3  1  0.0  0.0  0.86  1.0
  Ge  Ge0  1  0.0  0.37  0.43  1.0
  Ge  Ge1  1  0.37  0.0  0.43  1.0

data_KSrGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   124.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KSrGe2
_chemical_formula_sum   'K2 Sr2 Ge4'
_cell_volume   218.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sr  Sr1  2  0.14  0.0  0.14  1.0
  Ge  Ge2  4  0.26  0.31  0.94  1.0

K Sr Ge Ge
K Sr Ge Ge 0 1 o o - 0 2 o o o 0 3 o o o 