data_Mg2TlCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.0
_cell_angle_alpha   106.8
_cell_angle_beta   106.8
_cell_angle_gamma   33.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlCr
_chemical_formula_sum   'Mg2 Tl1 Cr1'
_cell_volume   76.87
_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  0.18  0.0  0.06  1.0
  Mg  Mg2  1  0.4  0.0  0.61  1.0
  Tl  Tl3  1  0.29  0.0  0.24  1.0
  Cr  Cr0  1  0.34  0.0  0.24  1.0

data_Mg2TlCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.0
_cell_length_c   5.39
_cell_angle_alpha   106.8
_cell_angle_beta   106.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlCr
_chemical_formula_sum   'Mg2 Tl1 Cr1'
_cell_volume   76.87
_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  0.06  0.18  1.0
  Mg  Mg1  1  0.0  0.61  0.4  1.0
  Tl  Tl2  1  0.0  0.24  0.29  1.0
  Cr  Cr3  1  0.0  0.24  0.34  1.0

Mg Mg Tl Cr