data_BeCuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   140.99
_cell_angle_beta   126.76
_cell_angle_gamma   67.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCuW2
_chemical_formula_sum   'Be1 Cu1 W2'
_cell_volume   53.03
_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  0.1  1.0
  Cu  Cu1  1  0.0  0.13  0.73  1.0
  W  W2  1  0.0  0.0  0.81  1.0
  W  W3  1  0.58  0.0  0.1  1.0

data_BeCuW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.25
_cell_length_c   4.75
_cell_angle_alpha   116.62
_cell_angle_beta   109.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCuW2
_chemical_formula_sum   'Be1 Cu1 W2'
_cell_volume   53.03
_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  0.9  0.9  0.9  1.0
  Cu  Cu1  1  0.27  0.4  0.4  1.0
  W  W2  1  0.19  0.19  0.19  1.0
  W  W3  1  0.48  0.9  0.48  1.0

Be Cu W W