data_BeCrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   4.12
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   100.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrW2
_chemical_formula_sum   'Be1 Cr1 W2'
_cell_volume   54.69
_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
  Cr  Cr1  1  0.84  0.0  0.52  1.0
  W  W2  1  0.94  0.06  0.78  1.0
  W  W3  1  0.74  0.06  0.26  1.0

data_BeCrW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.12
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   100.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrW2
_chemical_formula_sum   'Be1 Cr1 W2'
_cell_volume   54.69
_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
  Cr  Cr1  1  0.84  0.0  0.52  1.0
  W  W2  1  0.74  0.06  0.26  1.0
  W  W3  1  0.94  0.06  0.78  1.0

Be Cr W W
Be Cr W W 0 2 - o - 0 3 - o o 1 3 o o o 1 2 o o o 