data_ZrBe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.1
_cell_length_b   8.1
_cell_length_c   8.1
_cell_angle_alpha   20.63
_cell_angle_beta   20.63
_cell_angle_gamma   20.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBe2P
_chemical_formula_sum   'Zr1 Be2 P1'
_cell_volume   57.78
_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  0.89  1.0
  Be  Be0  1  0.0  0.0  0.46  1.0
  Be  Be1  1  0.0  0.0  0.33  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_ZrBe2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   2.9
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrBe2P
_chemical_formula_sum   'Zr2 Be4 P2'
_cell_volume   115.57
_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  0.11  1.0
  Be  Be1  2  0.0  0.0  0.54  1.0
  Be  Be2  2  0.0  0.0  0.67  1.0
  P  P3  2  0.0  0.0  0.0  1.0

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