data_Be2PtW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.28
_cell_angle_alpha   107.35
_cell_angle_beta   107.35
_cell_angle_gamma   33.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2PtW
_chemical_formula_sum   'Be2 Pt1 W1'
_cell_volume   48.2
_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  0.61  0.0  0.06  1.0
  Be  Be1  1  0.4  0.0  0.96  1.0
  Pt  Pt2  1  0.82  0.0  0.27  1.0
  W  W3  1  0.24  0.0  0.8  1.0

data_Be2PtW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.28
_cell_length_c   4.61
_cell_angle_alpha   107.35
_cell_angle_beta   106.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2PtW
_chemical_formula_sum   'Be2 Pt1 W1'
_cell_volume   48.2
_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  0.06  0.61  1.0
  Be  Be1  1  0.0  0.96  0.4  1.0
  Pt  Pt2  1  0.0  0.27  0.82  1.0
  W  W3  1  0.0  0.8  0.24  1.0

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