data_CuSi4P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.77
_cell_length_b   11.77
_cell_length_c   11.77
_cell_angle_alpha   18.93
_cell_angle_beta   18.93
_cell_angle_gamma   18.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSi4P3
_chemical_formula_sum   'Cu1 Si4 P3'
_cell_volume   149.99
_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  0.47  1.0
  Si  Si1  1  0.0  0.0  0.02  1.0
  Si  Si2  1  0.0  0.0  0.26  1.0
  Si  Si3  1  0.0  0.0  0.67  1.0
  Si  Si4  1  0.0  0.0  0.19  1.0
  P  P5  1  0.0  0.0  0.3  1.0
  P  P6  1  0.0  0.0  0.52  1.0
  P  P7  1  0.0  0.0  0.88  1.0

data_CuSi4P3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.71
_cell_length_b   3.87
_cell_length_c   11.77
_cell_angle_alpha   90.0
_cell_angle_beta   100.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuSi4P3
_chemical_formula_sum   'Cu2 Si8 P6'
_cell_volume   299.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Si  Si0  2  0.0  0.0  0.33  1.0
  Cu  Cu1  2  0.0  0.0  0.53  1.0
  Si  Si2  2  0.0  0.0  0.74  1.0
  Si  Si3  2  0.0  0.0  0.81  1.0
  Si  Si4  2  0.0  0.0  0.98  1.0
  P  P5  2  0.0  0.0  0.12  1.0
  P  P6  2  0.0  0.0  0.48  1.0
  P  P7  2  0.0  0.0  0.7  1.0

Cu Si Si Si Si P P P
Cu Si Si Si Si P P P 0 6 o o o 1 7 o o - 2 5 o o o 2 4 o o o 3 6 o o o 