data_Ca2NbGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   5.2
_cell_angle_alpha   114.56
_cell_angle_beta   114.56
_cell_angle_gamma   35.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NbGe
_chemical_formula_sum   'Ca2 Nb1 Ge1'
_cell_volume   103.21
_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  0.09  0.0  0.05  1.0
  Ca  Ca1  1  0.9  0.0  0.31  1.0
  Nb  Nb3  1  0.81  0.0  0.4  1.0
  Ge  Ge2  1  0.45  0.0  0.26  1.0

data_Ca2NbGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   5.2
_cell_length_c   6.18
_cell_angle_alpha   114.56
_cell_angle_beta   107.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NbGe
_chemical_formula_sum   'Ca2 Nb1 Ge1'
_cell_volume   103.21
_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  0.05  0.09  1.0
  Ca  Ca1  1  0.0  0.31  0.9  1.0
  Nb  Nb2  1  0.0  0.4  0.81  1.0
  Ge  Ge3  1  0.0  0.26  0.45  1.0

Ca Ca Nb Ge
Ca Ca Nb Ge 0 1 - o o 0 3 o o o 1 2 o o o 2 3 o o o 