data_Zr2BeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BeP
_chemical_formula_sum   'Zr2 Be1 P1'
_cell_volume   68.1
_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  0.0  0.0  0.6  1.0
  Zr  Zr3  1  0.56  0.56  0.09  1.0
  Be  Be0  1  0.0  0.0  0.91  1.0
  P  P1  1  0.56  0.56  0.78  1.0

data_Zr2BeP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2BeP
_chemical_formula_sum   'Zr4 Be2 P2'
_cell_volume   136.2
_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  0.6  1.0
  Zr  Zr1  2  0.06  0.5  0.09  1.0
  Be  Be2  2  0.0  0.0  0.91  1.0
  P  P3  2  0.06  0.5  0.78  1.0

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