data_Zr2AgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48
_cell_length_b   7.48
_cell_length_c   7.48
_cell_angle_alpha   28.11
_cell_angle_beta   28.11
_cell_angle_gamma   28.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AgP
_chemical_formula_sum   'Zr2 Ag1 P1'
_cell_volume   82.19
_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  0.84  1.0
  Zr  Zr3  1  0.0  0.0  0.71  1.0
  Ag  Ag0  1  0.0  0.0  0.78  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Zr2AgP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.3
_cell_length_b   3.63
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   106.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2AgP
_chemical_formula_sum   'Zr4 Ag2 P2'
_cell_volume   164.39
_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
  Zr  Zr0  2  0.0  0.0  0.16  1.0
  Zr  Zr1  2  0.0  0.0  0.29  1.0
  Ag  Ag2  2  0.0  0.0  0.22  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Zr Zr Ag P