data_BeCr2W
_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   142.85
_cell_angle_beta   130.57
_cell_angle_gamma   63.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2W
_chemical_formula_sum   'Be1 Cr2 W1'
_cell_volume   48.72
_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  0.0  0.99  0.99  1.0
  Cr  Cr2  1  0.51  0.0  0.05  1.0
  W  W3  1  0.0  0.0  0.04  1.0

data_BeCr2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.98
_cell_length_c   4.75
_cell_angle_alpha   114.72
_cell_angle_beta   108.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2W
_chemical_formula_sum   'Be1 Cr2 W1'
_cell_volume   48.72
_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  0.0  0.05  0.54  1.0
  Cr  Cr2  1  0.01  0.0  0.0  1.0
  W  W3  1  0.0  0.04  0.04  1.0

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