data_CaReGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   4.32
_cell_angle_alpha   93.03
_cell_angle_beta   93.03
_cell_angle_gamma   36.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaReGe2
_chemical_formula_sum   'Ca1 Re1 Ge2'
_cell_volume   72.98
_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  0.69  0.0  0.71  1.0
  Re  Re3  1  0.9  0.0  0.75  1.0
  Ge  Ge1  1  0.18  0.0  0.82  1.0
  Ge  Ge2  1  0.87  0.0  0.51  1.0

data_CaReGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.32
_cell_length_c   5.35
_cell_angle_alpha   93.03
_cell_angle_beta   108.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaReGe2
_chemical_formula_sum   'Ca1 Re1 Ge2'
_cell_volume   72.98
_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  0.71  0.69  1.0
  Re  Re1  1  0.0  0.75  0.9  1.0
  Ge  Ge2  1  0.0  0.51  0.87  1.0
  Ge  Ge3  1  0.0  0.82  0.18  1.0

Ca Re Ge Ge