data_MgTl2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   134.81
_cell_angle_beta   134.81
_cell_angle_gamma   65.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTl2Cr
_chemical_formula_sum   'Mg1 Tl2 Cr1'
_cell_volume   91.86
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.19  0.0  0.39  1.0
  Tl  Tl3  1  0.0  0.0  0.79  1.0
  Cr  Cr0  1  0.0  0.19  0.39  1.0

data_MgTl2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.7
_cell_angle_alpha   112.6
_cell_angle_beta   112.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTl2Cr
_chemical_formula_sum   'Mg1 Tl2 Cr1'
_cell_volume   91.86
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.21  0.0  0.21  1.0
  Tl  Tl2  1  0.61  0.0  0.8  1.0
  Cr  Cr3  1  0.8  0.19  0.8  1.0

Mg Tl Tl Cr
Mg Tl Tl Cr 0 2 o o - 1 3 o o o 