data_BeTl2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   3.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTl2Cr
_chemical_formula_sum   'Be1 Tl2 Cr1'
_cell_volume   78.21
_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  0.0  1.0
  Tl  Tl2  1  0.6  0.37  0.88  1.0
  Tl  Tl3  1  0.6  0.63  0.88  1.0
  Cr  Cr1  1  0.19  0.0  0.0  1.0

data_BeTl2Cr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.76
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BeTl2Cr
_chemical_formula_sum   'Be1 Tl2 Cr1'
_cell_volume   78.22
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  Tl  Tl1  2  0.88  0.37  0.6  1.0
  Cr  Cr2  1  -0.0  0.0  0.19  1.0

Be Tl Tl Cr