data_Cu2SiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   3.87
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SiP
_chemical_formula_sum   'Cu2 Si1 P1'
_cell_volume   52.25
_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  0.32  0.94  0.03  1.0
  Cu  Cu1  1  0.0  0.0  0.4  1.0
  Si  Si3  1  0.0  0.0  0.03  1.0
  P  P2  1  0.32  0.94  0.37  1.0

data_Cu2SiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   3.87
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SiP
_chemical_formula_sum   'Cu2 Si1 P1'
_cell_volume   52.25
_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
  Si  Si0  1  0.0  0.0  0.03  1.0
  Cu  Cu1  1  0.0  0.0  0.4  1.0
  Cu  Cu2  1  0.32  0.94  0.03  1.0
  P  P3  1  0.32  0.94  0.37  1.0

Cu Cu Si P