data_CaMnV4(CuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   110.51
_cell_angle_beta   108.98
_cell_angle_gamma   108.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnV4(CuO6)2
_chemical_formula_sum   'Ca1 Mn1 V4 Cu2 O12'
_cell_volume   205.37
_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
  Mn  Mn1  1  0.0  0.74  0.0  1.0
  V  V2  1  0.83  0.13  0.87  1.0
  V  V3  1  0.17  0.87  0.87  1.0
  V  V4  1  0.83  0.87  0.13  1.0
  V  V5  1  0.83  0.87  0.87  1.0
  Cu  Cu6  1  0.0  0.0  0.74  1.0
  Cu  Cu7  1  0.67  0.0  0.0  1.0
  O  O8  1  0.29  0.19  0.0  1.0
  O  O9  1  0.38  0.55  0.74  1.0
  O  O10  1  0.29  0.29  0.0  1.0
  O  O11  1  0.38  0.45  0.74  1.0
  O  O12  1  0.0  0.35  0.25  1.0
  O  O13  1  0.67  0.39  0.49  1.0
  O  O14  1  0.0  0.35  0.23  1.0
  O  O15  1  0.67  0.39  0.51  1.0
  O  O16  1  0.1  0.0  0.37  1.0
  O  O17  1  0.57  0.74  0.37  1.0
  O  O18  1  0.24  0.0  0.37  1.0
  O  O19  1  0.43  0.74  0.37  1.0

data_CaMnV4(CuO6)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   108.93
_cell_angle_beta   108.98
_cell_angle_gamma   110.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnV4(CuO6)2
_chemical_formula_sum   'Ca1 Mn1 V4 Cu2 O12'
_cell_volume   205.37
_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
  Mn  Mn1  1  0.0  0.0  0.26  1.0
  V  V2  1  0.13  0.29  0.26  1.0
  V  V3  1  0.87  0.04  0.0  1.0
  V  V4  1  0.87  0.04  0.74  1.0
  V  V5  1  0.87  0.71  0.0  1.0
  Cu  Cu6  1  0.0  0.33  0.0  1.0
  Cu  Cu7  1  0.74  0.74  0.74  1.0
  O  O8  1  0.0  0.71  0.71  1.0
  O  O9  1  0.0  0.71  0.81  1.0
  O  O10  1  0.23  0.23  0.88  1.0
  O  O11  1  0.25  0.25  0.91  1.0
  O  O12  1  0.37  0.13  0.37  1.0
  O  O13  1  0.37  0.27  0.37  1.0
  O  O14  1  0.37  0.8  0.63  1.0
  O  O15  1  0.37  0.94  0.63  1.0
  O  O16  1  0.49  0.82  0.1  1.0
  O  O17  1  0.51  0.84  0.12  1.0
  O  O18  1  0.74  0.37  0.19  1.0
  O  O19  1  0.74  0.37  0.29  1.0

Ca Mn V V V V Cu Cu O O O O O O O O O O O O