data_Pr2Mn3Cu9As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93
_cell_length_b   9.93
_cell_length_c   4.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2Mn3Cu9As7
_chemical_formula_sum   'Pr2 Mn3 Cu9 As7'
_cell_volume   342.03
_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
  Pr  Pr0  1  0.96  0.87  0.0  1.0
  Pr  Pr1  1  0.0  0.73  0.0  1.0
  Mn  Mn2  1  0.61  0.53  0.0  1.0
  Mn  Mn3  1  0.25  0.76  0.0  1.0
  Mn  Mn4  1  0.13  0.9  0.0  1.0
  Cu  Cu5  1  0.37  0.37  0.0  1.0
  Cu  Cu6  1  0.0  0.19  0.0  1.0
  Cu  Cu7  1  0.63  0.64  0.0  1.0
  Cu  Cu8  1  0.21  0.04  0.0  1.0
  Cu  Cu9  1  0.76  0.17  0.0  1.0
  Cu  Cu10  1  0.93  0.4  0.0  1.0
  Cu  Cu11  1  1.0  0.37  0.0  1.0
  Cu  Cu12  1  0.29  0.95  0.0  1.0
  Cu  Cu13  1  0.61  0.27  0.0  1.0
  As  As14  1  0.57  0.55  0.0  1.0
  As  As15  1  0.29  0.07  0.0  1.0
  As  As16  1  0.15  0.58  0.0  1.0
  As  As17  1  0.64  0.53  0.0  1.0
  As  As18  1  0.83  0.05  0.0  1.0
  As  As19  1  0.42  0.03  0.0  1.0
  As  As20  1  0.0  0.0  0.0  1.0

data_Pr2Mn3Cu9As7
_symmetry_space_group_name_H-M   Pm
_cell_length_a   9.93
_cell_length_b   4.01
_cell_length_c   9.93
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Pr2Mn3Cu9As7
_chemical_formula_sum   'Pr2 Mn3 Cu9 As7'
_cell_volume   342.03
_cell_formula_units_Z   1
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
  Pr  Pr0  1  0.0  0.0  0.73  1.0
  Pr  Pr1  1  0.96  0.0  0.87  1.0
  Mn  Mn2  1  0.13  0.0  0.9  1.0
  Mn  Mn3  1  0.25  0.0  0.76  1.0
  Mn  Mn4  1  0.61  0.0  0.53  1.0
  Cu  Cu5  1  0.0  0.0  0.19  1.0
  Cu  Cu6  1  0.21  0.0  0.04  1.0
  Cu  Cu7  1  0.29  0.0  0.95  1.0
  Cu  Cu8  1  0.37  0.0  0.37  1.0
  Cu  Cu9  1  0.61  0.0  0.27  1.0
  Cu  Cu10  1  0.63  0.0  0.64  1.0
  Cu  Cu11  1  0.76  0.0  0.17  1.0
  Cu  Cu12  1  0.93  0.0  0.4  1.0
  Cu  Cu13  1  1.0  0.0  0.37  1.0
  As  As14  1  0.0  0.0  0.0  1.0
  As  As15  1  0.15  0.0  0.58  1.0
  As  As16  1  0.29  0.0  0.07  1.0
  As  As17  1  0.42  0.0  0.03  1.0
  As  As18  1  0.57  0.0  0.55  1.0
  As  As19  1  0.64  0.0  0.53  1.0
  As  As20  1  0.83  0.0  0.05  1.0

Pr Pr Mn Mn Mn Cu Cu Cu Cu Cu Cu Cu Cu Cu As As As As As As As
Pr Pr Mn Mn Mn Cu Cu Cu Cu Cu Cu Cu Cu Cu As As As As As As As 0 20 + + o 0 1 + o o 1 4 o o o 2 17 o o o 2 5 o o o 2 7 o o o 2 13 o o o 2 14 o o o 3 16 o o o 3 12 o o o 4 8 o + o 4 12 o o o 5 14 o o o 6 18 - o o 6 11 - o o 6 20 o o o 7 14 o o o 8 15 o o o 9 18 o o o 9 10 o o o 9 13 o o o 10 11 o o o 11 16 + o o 12 15 o + o 12 19 o + o 13 19 o o o 13 17 o o o 