data_YBeCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeCr2
_chemical_formula_sum   'Y1 Be1 Cr2'
_cell_volume   57.47
_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
  Y  Y3  1  0.42  0.42  0.62  1.0
  Be  Be0  1  0.0  0.0  0.51  1.0
  Cr  Cr1  1  0.42  0.42  0.02  1.0
  Cr  Cr2  1  0.0  0.0  0.48  1.0

data_YBeCr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YBeCr2
_chemical_formula_sum   'Y2 Be2 Cr4'
_cell_volume   114.94
_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
  Y  Y0  2  0.42  0.0  0.62  1.0
  Be  Be1  2  0.0  0.0  0.51  1.0
  Cr  Cr2  2  0.0  0.0  0.48  1.0
  Cr  Cr3  2  0.42  0.0  0.02  1.0

Y Be Cr Cr
Y Be Cr Cr 0 3 o o o 0 3 o + o 0 3 + o o 0 1 o o o 0 1 o + o 0 1 + o o 0 1 + + o 0 2 o o + 1 3 o o o 2 2 + o o 2 2 o + o 