data_ZrTeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   141.44
_cell_angle_beta   130.07
_cell_angle_gamma   64.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTeP2
_chemical_formula_sum   'Zr1 Te1 P2'
_cell_volume   80.75
_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  Zr3  1  0.0  0.0  0.78  1.0
  Te  Te2  1  0.83  0.0  0.39  1.0
  P  P0  1  0.83  0.0  0.73  1.0
  P  P1  1  0.0  0.0  0.17  1.0

data_ZrTeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.69
_cell_length_c   5.56
_cell_angle_alpha   114.97
_cell_angle_beta   109.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTeP2
_chemical_formula_sum   'Zr1 Te1 P2'
_cell_volume   80.75
_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  0.22  0.22  0.22  1.0
  Te  Te1  1  0.45  0.61  0.45  1.0
  P  P2  1  0.1  0.27  0.1  1.0
  P  P3  1  0.83  0.83  0.83  1.0

Zr Te P P