data_Ca5(SnAs3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.1
_cell_length_b   13.54
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5(SnAs3)2
_chemical_formula_sum   'Ca10 Sn4 As12'
_cell_volume   684.58
_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  Ca12  1  0.55  0.48  0.0  1.0
  Ca  Ca13  1  0.55  0.06  0.0  1.0
  Ca  Ca14  1  0.5  0.29  0.0  1.0
  Ca  Ca15  1  0.6  0.25  0.0  1.0
  Ca  Ca16  1  0.0  0.0  0.0  1.0
  Ca  Ca17  1  0.05  0.77  0.0  1.0
  Ca  Ca18  1  0.5  0.89  0.0  1.0
  Ca  Ca19  1  0.6  0.65  0.0  1.0
  Ca  Ca20  1  0.45  0.88  0.0  1.0
  Ca  Ca21  1  0.65  0.66  0.0  1.0
  Sn  Sn22  1  0.55  0.48  0.09  1.0
  Sn  Sn23  1  0.55  0.06  0.09  1.0
  Sn  Sn24  1  0.5  0.29  0.09  1.0
  Sn  Sn25  1  0.6  0.24  0.09  1.0
  As  As0  1  0.08  0.42  0.09  1.0
  As  As1  1  0.01  0.12  0.09  1.0
  As  As2  1  0.03  0.89  0.09  1.0
  As  As3  1  0.06  0.65  0.09  1.0
  As  As4  1  0.91  0.4  0.09  1.0
  As  As5  1  0.19  0.13  0.09  1.0
  As  As6  1  0.86  0.37  0.09  1.0
  As  As7  1  0.23  0.17  0.09  1.0
  As  As8  1  0.61  0.77  0.0  1.0
  As  As9  1  0.49  0.76  0.0  1.0
  As  As10  1  0.56  0.99  0.0  1.0
  As  As11  1  0.54  0.54  0.0  1.0

data_Ca5(SnAs3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   12.1
_cell_length_c   13.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5(SnAs3)2
_chemical_formula_sum   'Ca10 Sn4 As12'
_cell_volume   684.58
_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  -0.0  0.5  0.89  1.0
  Ca  Ca1  1  -0.0  0.45  0.88  1.0
  Ca  Ca2  1  -0.0  0.5  0.29  1.0
  Ca  Ca3  1  -0.0  0.55  0.48  1.0
  Ca  Ca4  1  -0.0  0.6  0.25  1.0
  Ca  Ca5  1  -0.0  0.05  0.77  1.0
  Ca  Ca6  1  -0.0  0.65  0.66  1.0
  Ca  Ca7  1  -0.0  0.6  0.65  1.0
  Ca  Ca8  1  -0.0  0.55  0.06  1.0
  Ca  Ca9  1  0.0  0.0  0.0  1.0
  Sn  Sn10  1  0.09  0.5  0.29  1.0
  Sn  Sn11  1  0.09  0.55  0.06  1.0
  Sn  Sn12  1  0.09  0.55  0.48  1.0
  Sn  Sn13  1  0.09  0.6  0.24  1.0
  As  As14  1  -0.0  0.49  0.76  1.0
  As  As15  1  -0.0  0.56  0.99  1.0
  As  As16  1  -0.0  0.61  0.77  1.0
  As  As17  1  -0.0  0.54  0.54  1.0
  As  As18  1  0.09  0.01  0.12  1.0
  As  As19  1  0.09  0.03  0.89  1.0
  As  As20  1  0.09  0.06  0.65  1.0
  As  As21  1  0.09  0.08  0.42  1.0
  As  As22  1  0.09  0.19  0.13  1.0
  As  As23  1  0.09  0.23  0.17  1.0
  As  As24  1  0.09  0.86  0.37  1.0
  As  As25  1  0.09  0.91  0.4  1.0

Ca Ca Ca Ca Ca Ca Ca Ca Ca Ca Sn Sn Sn Sn As As As As As As As As As As As As