data_Be2CuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   143.71
_cell_angle_beta   143.71
_cell_angle_gamma   52.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CuSe
_chemical_formula_sum   'Be2 Cu1 Se1'
_cell_volume   51.46
_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  0.65  0.0  0.37  1.0
  Cu  Cu2  1  0.0  0.0  0.75  1.0
  Se  Se3  1  0.0  0.65  0.37  1.0

data_Be2CuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   5.29
_cell_angle_alpha   108.15
_cell_angle_beta   108.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CuSe
_chemical_formula_sum   'Be2 Cu1 Se1'
_cell_volume   51.46
_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  0.63  0.0  0.27  1.0
  Cu  Cu2  1  0.25  0.0  0.25  1.0
  Se  Se3  1  0.27  0.65  0.27  1.0

Be Be Cu Se