data_CaCr(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   5.49
_cell_angle_alpha   101.86
_cell_angle_beta   101.86
_cell_angle_gamma   83.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCr(GeO3)2
_chemical_formula_sum   'Ca2 Cr2 Ge4 O12'
_cell_volume   258.9
_cell_formula_units_Z   2
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  0.84  0.14  0.32  1.0
  Ca  Ca1  1  0.08  0.86  0.95  1.0
  Cr  Cr2  1  0.84  0.83  0.32  1.0
  Cr  Cr3  1  0.08  0.17  0.95  1.0
  Ge  Ge4  1  0.64  0.92  0.17  1.0
  Ge  Ge5  1  0.04  0.92  0.47  1.0
  Ge  Ge6  1  0.28  0.08  0.11  1.0
  Ge  Ge7  1  0.88  0.08  0.8  1.0
  O  O8  1  1.0  0.7  0.5  1.0
  O  O9  1  0.69  0.7  0.13  1.0
  O  O10  1  0.93  0.3  0.77  1.0
  O  O11  1  0.24  0.3  0.14  1.0
  O  O12  1  0.52  0.62  0.46  1.0
  O  O13  1  0.64  0.62  0.45  1.0
  O  O14  1  0.4  0.38  0.81  1.0
  O  O15  1  0.28  0.38  0.83  1.0
  O  O16  1  0.95  0.91  0.68  1.0
  O  O17  1  0.73  0.91  0.96  1.0
  O  O18  1  0.97  0.09  0.59  1.0
  O  O19  1  0.2  0.09  0.32  1.0

data_CaCr(GeO3)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.49
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   83.99
_cell_angle_beta   78.14
_cell_angle_gamma   78.14
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CaCr(GeO3)2
_chemical_formula_sum   'Ca2 Cr2 Ge4 O12'
_cell_volume   258.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.18  0.12  0.86  1.0
  Cr  Cr1  2  0.18  0.12  0.17  1.0
  Ge  Ge2  2  0.03  0.32  0.08  1.0
  Ge  Ge3  2  0.33  0.92  0.08  1.0
  O  O4  2  0.0  0.73  0.7  1.0
  O  O5  2  0.18  0.77  0.91  1.0
  O  O6  2  0.31  0.32  0.38  1.0
  O  O7  2  0.33  0.44  0.38  1.0
  O  O8  2  0.37  0.97  0.3  1.0
  O  O9  2  0.46  0.99  0.91  1.0

Ca Ca Cr Cr Ge Ge Ge Ge O O O O O O O O O O O O