data_YBeCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04
_cell_length_b   8.04
_cell_length_c   8.04
_cell_angle_alpha   22.39
_cell_angle_beta   22.39
_cell_angle_gamma   22.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeCr2
_chemical_formula_sum   'Y1 Be1 Cr2'
_cell_volume   66.14
_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  0.0  0.0  0.75  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.17  1.0
  Cr  Cr2  1  0.0  0.0  0.33  1.0

data_YBeCr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   3.12
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   102.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YBeCr2
_chemical_formula_sum   'Y2 Be2 Cr4'
_cell_volume   132.28
_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  0.0  0.0  0.25  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Cr  Cr2  2  0.0  0.0  0.67  1.0
  Cr  Cr3  2  0.0  0.0  0.83  1.0

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