data_Rb2TaCuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.35
_cell_length_b   12.83
_cell_length_c   7.64
_cell_angle_alpha   85.07
_cell_angle_beta   62.9
_cell_angle_gamma   32.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2TaCuSe4
_chemical_formula_sum   'Rb4 Ta2 Cu2 Se8'
_cell_volume   512.65
_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
  Rb  Rb2  1  0.35  0.6  0.27  1.0
  Rb  Rb3  1  0.35  0.6  0.21  1.0
  Rb  Rb4  1  0.9  0.07  0.02  1.0
  Rb  Rb5  1  0.9  0.07  0.96  1.0
  Ta  Ta14  1  0.9  0.07  0.49  1.0
  Ta  Ta15  1  0.35  0.6  0.74  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.45  0.53  0.25  1.0
  Se  Se6  1  0.32  0.67  0.88  1.0
  Se  Se7  1  0.49  0.47  0.88  1.0
  Se  Se8  1  0.49  0.67  0.1  1.0
  Se  Se9  1  0.32  0.47  0.1  1.0
  Se  Se10  1  0.94  0.2  0.13  1.0
  Se  Se11  1  0.87  0.93  0.13  1.0
  Se  Se12  1  0.87  0.2  0.86  1.0
  Se  Se13  1  0.94  0.93  0.86  1.0

data_Rb2TaCuSe4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.8
_cell_length_b   7.64
_cell_length_c   12.83
_cell_angle_alpha   85.07
_cell_angle_beta   76.92
_cell_angle_gamma   67.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2TaCuSe4
_chemical_formula_sum   'Rb4 Ta2 Cu2 Se8'
_cell_volume   512.65
_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
  Rb  Rb0  1  0.04  0.86  0.03  1.0
  Rb  Rb1  1  0.73  0.62  0.04  1.0
  Rb  Rb2  1  0.79  0.56  0.04  1.0
  Rb  Rb3  1  0.98  0.93  0.03  1.0
  Ta  Ta4  1  0.26  0.09  0.04  1.0
  Ta  Ta5  1  0.51  0.39  0.03  1.0
  Cu  Cu6  1  0.0  0.0  0.0  1.0
  Cu  Cu7  1  0.75  0.7  0.01  1.0
  Se  Se8  1  0.12  0.2  0.01  1.0
  Se  Se9  1  0.12  0.37  0.04  1.0
  Se  Se10  1  0.14  0.72  0.93  1.0
  Se  Se11  1  0.14  0.8  0.13  1.0
  Se  Se12  1  0.87  0.07  0.86  1.0
  Se  Se13  1  0.87  0.99  0.2  1.0
  Se  Se14  1  0.9  0.42  0.21  1.0
  Se  Se15  1  0.9  0.59  0.84  1.0

Rb Rb Rb Rb Ta Ta Cu Cu Se Se Se Se Se Se Se Se
Rb Rb Rb Rb Ta Ta Cu Cu Se Se Se Se Se Se Se Se 0 1 o o o 0 4 - + o 0 7 o o o 0 10 o o o 0 11 o o o 1 4 - + o 1 10 o o o 1 11 o o o 2 3 o o - 2 6 + o o 2 12 o o o 2 13 o - o 2 14 o o - 2 15 o - - 3 14 o o o 3 15 o - o 4 9 o o o 5 8 o o o 6 12 - o o 7 10 o o o 8 9 o o o 9 11 o o + 10 14 o o - 13 15 o o - 