data_ZrCo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.91
_cell_length_c   3.75
_cell_angle_alpha   68.16
_cell_angle_beta   67.1
_cell_angle_gamma   44.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCo2P
_chemical_formula_sum   'Zr1 Co2 P1'
_cell_volume   58.45
_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  0.62  0.69  0.15  1.0
  Co  Co0  1  0.62  0.34  0.08  1.0
  Co  Co1  1  0.0  0.34  0.08  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_ZrCo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   4.91
_cell_angle_alpha   111.84
_cell_angle_beta   111.84
_cell_angle_gamma   91.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCo2P
_chemical_formula_sum   'Zr1 Co2 P1'
_cell_volume   58.45
_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  0.62  0.85  0.31  1.0
  Co  Co1  1  0.0  0.92  0.34  1.0
  Co  Co2  1  0.62  0.92  0.96  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Zr Co Co P
Zr Co Co P 0 2 + o o 1 3 + o o 