data_Zr2SiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   41.89
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SiP
_chemical_formula_sum   'Zr2 Si1 P1'
_cell_volume   69.57
_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
  Zr  Zr2  1  0.0  0.0  0.15  1.0
  Zr  Zr3  1  0.96  0.0  0.06  1.0
  Si  Si1  1  0.0  0.0  0.84  1.0
  P  P0  1  0.96  0.0  0.39  1.0

data_Zr2SiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.92
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   110.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SiP
_chemical_formula_sum   'Zr2 Si1 P1'
_cell_volume   69.57
_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
  Zr  Zr0  1  0.85  0.0  0.85  1.0
  Zr  Zr1  1  0.94  0.96  0.94  1.0
  Si  Si2  1  0.16  0.0  0.16  1.0
  P  P3  1  0.61  0.96  0.61  1.0

Zr Zr Si P