data_BeCoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.36
_cell_angle_alpha   109.59
_cell_angle_beta   109.59
_cell_angle_gamma   31.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCoW2
_chemical_formula_sum   'Be1 Co1 W2'
_cell_volume   50.85
_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  0.65  0.0  0.15  1.0
  Co  Co1  1  0.96  0.0  0.98  1.0
  W  W2  1  0.1  0.0  0.18  1.0
  W  W3  1  0.03  0.0  0.82  1.0

data_BeCoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.36
_cell_length_c   4.86
_cell_angle_alpha   109.59
_cell_angle_beta   105.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCoW2
_chemical_formula_sum   'Be1 Co1 W2'
_cell_volume   50.85
_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  0.15  0.65  1.0
  Co  Co1  1  0.0  0.98  0.96  1.0
  W  W2  1  0.0  0.18  0.1  1.0
  W  W3  1  0.0  0.82  0.03  1.0

Be Co W W
Be Co W W 0 2 + o o 0 1 o o - 1 3 + o o 1 2 + o + 