data_CaAg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   5.43
_cell_angle_alpha   114.67
_cell_angle_beta   114.67
_cell_angle_gamma   59.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAg2Ge
_chemical_formula_sum   'Ca1 Ag2 Ge1'
_cell_volume   88.96
_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
  Ca  Ca2  1  0.76  0.0  0.49  1.0
  Ag  Ag0  1  0.49  0.0  0.52  1.0
  Ag  Ag1  1  0.42  0.0  0.77  1.0
  Ge  Ge3  1  0.07  0.0  0.14  1.0

data_CaAg2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.61
_cell_length_b   4.66
_cell_length_c   5.43
_cell_angle_alpha   114.67
_cell_angle_beta   90.0
_cell_angle_gamma   119.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAg2Ge
_chemical_formula_sum   'Ca1 Ag2 Ge1'
_cell_volume   88.96
_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
  Ca  Ca0  1  0.0  0.24  0.51  1.0
  Ag  Ag1  1  0.0  0.51  0.48  1.0
  Ag  Ag2  1  0.0  0.58  0.23  1.0
  Ge  Ge3  1  0.0  0.93  0.86  1.0

Ca Ag Ag Ge