data_BeCrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   151.51
_cell_angle_beta   151.51
_cell_angle_gamma   40.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrNi
_chemical_formula_sum   'Be1 Cr1 Ni1'
_cell_volume   29.69
_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  0.08  1.0
  Cr  Cr1  1  0.0  0.0  0.24  1.0
  Ni  Ni2  1  0.0  0.0  0.2  1.0

data_BeCrNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   110.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCrNi
_chemical_formula_sum   'Be2 Cr2 Ni2'
_cell_volume   59.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.08  0.0  0.08  1.0
  Cr  Cr1  2  0.24  0.0  0.24  1.0
  Ni  Ni2  2  0.2  0.0  0.2  1.0

Be Cr Ni