data_Zr2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AsP
_chemical_formula_sum   'Zr2 As1 P1'
_cell_volume   77.15
_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  0.66  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.69  1.0
  As  As0  1  0.66  0.0  0.69  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Zr2AsP
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Zr2AsP
_chemical_formula_sum   'Zr2 As1 P1'
_cell_volume   77.16
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.69  1.0
  Zr  Zr1  1  0.66  0.0  0.0  1.0
  As  As2  1  0.66  0.0  0.69  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Zr Zr As P