data_Ta2CrP6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   4.62
_cell_length_c   10.01
_cell_angle_alpha   90.0
_cell_angle_beta   92.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrP6
_chemical_formula_sum   'Ta4 Cr2 P12'
_cell_volume   337.03
_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
  Ta  Ta14  1  0.79  0.46  0.43  1.0
  Ta  Ta15  1  0.77  0.15  0.57  1.0
  Ta  Ta16  1  0.02  0.16  0.57  1.0
  Ta  Ta17  1  0.03  0.47  0.43  1.0
  Cr  Cr0  1  0.75  0.31  1.0  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.68  0.91  0.08  1.0
  P  P3  1  0.87  0.6  0.92  1.0
  P  P4  1  0.12  0.71  0.92  1.0
  P  P5  1  0.93  0.02  0.08  1.0
  P  P6  1  0.36  0.09  0.57  1.0
  P  P7  1  0.2  0.4  0.43  1.0
  P  P8  1  0.44  0.54  0.43  1.0
  P  P9  1  0.61  0.23  0.57  1.0
  P  P10  1  0.15  0.57  0.25  1.0
  P  P11  1  0.41  0.26  0.74  1.0
  P  P12  1  0.65  0.05  0.74  1.0
  P  P13  1  0.4  0.36  0.25  1.0

data_Ta2CrP6
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.62
_cell_length_b   7.3
_cell_length_c   10.01
_cell_angle_alpha   92.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrP6
_chemical_formula_sum   'Ta4 Cr2 P12'
_cell_volume   337.03
_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
  Ta  Ta0  1  0.53  0.97  0.57  1.0
  Ta  Ta1  1  0.54  0.21  0.57  1.0
  Ta  Ta2  1  0.84  0.98  0.43  1.0
  Ta  Ta3  1  0.85  0.23  0.43  1.0
  Cr  Cr4  1  0.0  0.0  0.0  1.0
  Cr  Cr5  1  0.69  0.25  0.0  1.0
  P  P6  1  0.09  0.32  0.92  1.0
  P  P7  1  0.29  0.88  0.08  1.0
  P  P8  1  0.4  0.13  0.08  1.0
  P  P9  1  0.43  0.85  0.75  1.0
  P  P10  1  0.46  0.56  0.57  1.0
  P  P11  1  0.6  0.8  0.57  1.0
  P  P12  1  0.64  0.6  0.75  1.0
  P  P13  1  0.74  0.59  0.26  1.0
  P  P14  1  0.77  0.39  0.43  1.0
  P  P15  1  0.91  0.64  0.43  1.0
  P  P16  1  0.95  0.35  0.26  1.0
  P  P17  1  0.98  0.07  0.92  1.0

Ta Ta Ta Ta Cr Cr P P P P P P P P P P P P