data_BeTl2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Cr
_chemical_formula_sum   'Be1 Tl2 Cr1'
_cell_volume   76.67
_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  0.48  1.0
  Tl  Tl2  1  0.0  0.0  0.1  1.0
  Tl  Tl3  1  0.59  0.59  0.29  1.0
  Cr  Cr1  1  0.59  0.59  0.11  1.0

data_BeTl2Cr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeTl2Cr
_chemical_formula_sum   'Be2 Tl4 Cr2'
_cell_volume   153.34
_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  0.0  0.0  0.48  1.0
  Tl  Tl1  2  0.0  0.0  0.1  1.0
  Tl  Tl2  2  0.09  0.5  0.29  1.0
  Cr  Cr3  2  0.09  0.5  0.11  1.0

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