data_Be2CuP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   134.72
_cell_angle_beta   134.72
_cell_angle_gamma   65.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CuP
_chemical_formula_sum   'Be2 Cu1 P1'
_cell_volume   42.35
_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  0.69  0.85  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.69  0.0  0.85  1.0
  P  P3  1  0.0  0.0  0.69  1.0

data_Be2CuP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   4.4
_cell_angle_alpha   112.64
_cell_angle_beta   112.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CuP
_chemical_formula_sum   'Be2 Cu1 P1'
_cell_volume   42.35
_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
  Be  Be1  1  0.85  0.69  0.85  1.0
  Cu  Cu2  1  0.15  0.0  0.85  1.0
  P  P3  1  0.31  0.0  0.31  1.0

Be Be Cu P