data_ZrBP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   139.52
_cell_angle_beta   139.52
_cell_angle_gamma   58.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBP2
_chemical_formula_sum   'Zr1 B1 P2'
_cell_volume   56.17
_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  0.47  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.77  0.0  0.23  1.0
  P  P2  1  0.0  0.77  0.23  1.0

data_ZrBP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   119.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrBP2
_chemical_formula_sum   'Zr2 B2 P4'
_cell_volume   112.35
_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  0.53  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  P  P2  4  0.39  0.39  0.54  1.0

Zr B P P