data_Ca2TaMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   7.96
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2TaMoO6
_chemical_formula_sum   'Ca4 Ta2 Mo2 O12'
_cell_volume   255.19
_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  0.7  0.97  0.5  1.0
  Ca  Ca1  1  0.04  0.97  0.52  1.0
  Ca  Ca2  1  0.5  0.99  0.23  1.0
  Ca  Ca3  1  0.84  0.99  0.25  1.0
  Ta  Ta4  1  0.77  0.0  0.88  1.0
  Ta  Ta5  1  0.77  0.98  0.88  1.0
  Mo  Mo6  1  0.0  0.0  0.0  1.0
  Mo  Mo7  1  0.0  0.98  0.0  1.0
  O  O8  1  0.8  0.56  0.52  1.0
  O  O9  1  0.15  0.37  0.96  1.0
  O  O10  1  0.74  0.4  0.23  1.0
  O  O11  1  0.39  0.4  0.79  1.0
  O  O12  1  0.25  0.99  0.69  1.0
  O  O13  1  0.39  0.58  0.79  1.0
  O  O14  1  0.15  0.56  0.96  1.0
  O  O15  1  0.8  0.42  0.52  1.0
  O  O16  1  0.92  0.97  0.28  1.0
  O  O17  1  0.74  0.54  0.23  1.0
  O  O18  1  0.62  0.99  0.47  1.0
  O  O19  1  0.29  0.97  0.07  1.0

data_Ca2TaMoO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.57
_cell_length_b   5.75
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2TaMoO6
_chemical_formula_sum   'Ca4 Ta2 Mo2 O12'
_cell_volume   255.19
_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  0.16  0.75  0.01  1.0
  Ca  Ca1  1  0.3  0.5  0.03  1.0
  Ca  Ca2  1  0.5  0.77  0.01  1.0
  Ca  Ca3  1  0.96  0.48  0.03  1.0
  Ta  Ta4  1  0.23  0.12  0.0  1.0
  Ta  Ta5  1  0.23  0.12  0.02  1.0
  Mo  Mo6  1  0.0  -0.0  0.02  1.0
  Mo  Mo7  1  0.0  0.0  0.0  1.0
  O  O8  1  0.08  0.72  0.03  1.0
  O  O9  1  0.2  0.48  0.44  1.0
  O  O10  1  0.2  0.48  0.58  1.0
  O  O11  1  0.26  0.77  0.46  1.0
  O  O12  1  0.26  0.77  0.6  1.0
  O  O13  1  0.38  0.53  0.01  1.0
  O  O14  1  0.61  0.21  0.42  1.0
  O  O15  1  0.61  0.21  0.6  1.0
  O  O16  1  0.71  0.93  0.03  1.0
  O  O17  1  0.75  0.31  0.01  1.0
  O  O18  1  0.85  0.04  0.44  1.0
  O  O19  1  0.85  0.04  0.63  1.0

Ca Ca Ca Ca Ta Ta Mo Mo O O O O O O O O O O O O