data_BeCr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   144.61
_cell_angle_beta   135.43
_cell_angle_gamma   58.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2Pd
_chemical_formula_sum   'Be1 Cr2 Pd1'
_cell_volume   46.08
_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  0.48  0.0  0.07  1.0
  Cr  Cr2  1  0.0  0.84  0.18  1.0
  Pd  Pd3  1  0.0  0.0  0.24  1.0

data_BeCr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.68
_cell_length_c   4.85
_cell_angle_alpha   112.28
_cell_angle_beta   107.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2Pd
_chemical_formula_sum   'Be1 Cr2 Pd1'
_cell_volume   46.08
_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  0.41  0.93  0.41  1.0
  Cr  Cr2  1  0.82  0.66  0.66  1.0
  Pd  Pd3  1  0.76  0.76  0.76  1.0

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