data_Cu4SnP10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   7.3
_cell_angle_alpha   59.97
_cell_angle_beta   59.97
_cell_angle_gamma   59.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4SnP10
_chemical_formula_sum   'Cu4 Sn1 P10'
_cell_volume   274.44
_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
  Cu  Cu0  1  0.0  0.0  0.88  1.0
  Cu  Cu1  1  0.79  0.97  0.24  1.0
  Cu  Cu2  1  0.21  0.97  0.24  1.0
  Cu  Cu3  1  0.0  0.07  0.24  1.0
  Sn  Sn4  1  0.0  0.0  0.25  1.0
  P  P5  1  0.79  0.03  0.99  1.0
  P  P6  1  0.0  0.93  0.99  1.0
  P  P7  1  0.0  0.0  0.27  1.0
  P  P8  1  0.8  0.04  0.18  1.0
  P  P9  1  0.76  0.98  0.97  1.0
  P  P10  1  0.21  0.03  0.99  1.0
  P  P11  1  0.0  0.92  0.18  1.0
  P  P12  1  0.2  0.04  0.18  1.0
  P  P13  1  0.0  0.04  0.97  1.0
  P  P14  1  0.24  0.98  0.97  1.0

data_Cu4SnP10
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.3
_cell_angle_alpha   60.02
_cell_angle_beta   60.02
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4SnP10
_chemical_formula_sum   'Cu4 Sn1 P10'
_cell_volume   274.44
_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
  Cu  Cu0  1  0.0  0.12  0.88  1.0
  Cu  Cu1  1  0.03  0.76  0.41  1.0
  Cu  Cu2  1  0.03  0.76  0.99  1.0
  Cu  Cu3  1  0.93  0.76  0.3  1.0
  Sn  Sn4  1  0.0  0.75  0.25  1.0
  P  P5  1  0.0  0.73  0.27  1.0
  P  P6  1  0.02  0.03  0.19  1.0
  P  P7  1  0.02  0.03  0.72  1.0
  P  P8  1  0.07  0.01  0.92  1.0
  P  P9  1  0.08  0.82  0.1  1.0
  P  P10  1  0.96  0.82  0.03  1.0
  P  P11  1  0.96  0.82  0.42  1.0
  P  P12  1  0.96  0.03  0.01  1.0
  P  P13  1  0.97  0.01  0.23  1.0
  P  P14  1  0.97  0.01  0.81  1.0

Cu Cu Cu Cu Sn P P P P P P P P P P