data_Sr2ZrP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.56
_cell_length_b   10.56
_cell_length_c   10.56
_cell_angle_alpha   20.69
_cell_angle_beta   20.69
_cell_angle_gamma   20.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZrP
_chemical_formula_sum   'Sr2 Zr1 P1'
_cell_volume   128.8
_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
  Sr  Sr1  1  0.0  0.0  0.64  1.0
  Sr  Sr2  1  0.0  0.0  0.36  1.0
  Zr  Zr3  1  0.0  0.0  0.5  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Sr2ZrP
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.57
_cell_length_b   3.79
_cell_length_c   10.56
_cell_angle_alpha   90.0
_cell_angle_beta   101.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Sr2ZrP
_chemical_formula_sum   'Sr4 Zr2 P2'
_cell_volume   257.61
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Sr  Sr0  4  0.0  0.0  0.36  1.0
  Zr  Zr1  2  0.0  0.0  0.5  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Sr Sr Zr P
Sr Sr Zr P 0 2 o o o 0 3 o o + 1 2 o o o 1 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 