data_BeAs2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   137.8
_cell_angle_beta   137.8
_cell_angle_gamma   61.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAs2W
_chemical_formula_sum   'Be1 As2 W1'
_cell_volume   60.48
_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  Be2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.42  1.0
  As  As1  1  0.0  0.85  0.21  1.0
  W  W3  1  0.85  0.0  0.21  1.0

data_BeAs2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   5.14
_cell_angle_alpha   111.1
_cell_angle_beta   111.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAs2W
_chemical_formula_sum   'Be1 As2 W1'
_cell_volume   60.48
_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
  As  As1  1  0.58  0.0  0.58  1.0
  As  As2  1  0.64  0.85  0.64  1.0
  W  W3  1  0.79  0.0  0.64  1.0

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