data_BeCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.36
_cell_length_b   2.36
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr
_chemical_formula_sum   'Be2 Cr2'
_cell_volume   39.75
_cell_formula_units_Z   2
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  0.18  0.0  0.3  1.0
  Be  Be1  1  0.0  0.18  0.81  1.0
  Cr  Cr2  1  0.18  0.0  0.07  1.0
  Cr  Cr3  1  0.0  0.18  0.05  1.0

data_BeCr
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   BeCr
_chemical_formula_sum   'Be4 Cr4'
_cell_volume   79.5
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.09  0.5  0.24  1.0
  Cr  Cr1  4  0.09  0.5  0.01  1.0

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