data_CaY2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   145.12
_cell_angle_beta   131.82
_cell_angle_gamma   60.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY2Ge
_chemical_formula_sum   'Ca1 Y2 Ge1'
_cell_volume   117.52
_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  0.0  0.0  1.0
  Y  Y2  1  0.0  0.67  0.21  1.0
  Y  Y3  1  0.96  0.0  0.42  1.0
  Ge  Ge1  1  0.0  0.0  0.63  1.0

data_CaY2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   5.33
_cell_length_c   6.53
_cell_angle_alpha   114.09
_cell_angle_beta   107.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY2Ge
_chemical_formula_sum   'Ca1 Y2 Ge1'
_cell_volume   117.52
_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  0.0  0.0  1.0
  Y  Y1  1  0.54  0.58  0.54  1.0
  Y  Y2  1  0.79  0.46  0.46  1.0
  Ge  Ge3  1  0.37  0.37  0.37  1.0

Ca Y Y Ge