data_BeCu2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   2.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCu2P
_chemical_formula_sum   'Be1 Cu2 P1'
_cell_volume   46.52
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.22  0.74  0.37  1.0
  Cu  Cu2  1  0.22  0.26  0.37  1.0
  P  P3  1  0.43  0.0  0.0  1.0

data_BeCu2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.25
_cell_length_c   4.25
_cell_angle_alpha   110.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCu2P
_chemical_formula_sum   'Be1 Cu2 P1'
_cell_volume   46.52
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.37  0.22  0.26  1.0
  Cu  Cu2  1  0.37  0.22  0.74  1.0
  P  P3  1  0.0  0.43  0.0  1.0

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