data_CaMgTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   4.7
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   104.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgTl2
_chemical_formula_sum   'Ca1 Mg1 Tl2'
_cell_volume   112.66
_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
  Ca  Ca0  1  0.93  0.0  0.35  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.52  0.35  0.56  1.0
  Tl  Tl3  1  0.34  0.35  0.14  1.0

data_CaMgTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.7
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   104.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgTl2
_chemical_formula_sum   'Ca1 Mg1 Tl2'
_cell_volume   112.66
_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
  Ca  Ca0  1  0.93  0.0  0.35  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.34  0.35  0.14  1.0
  Tl  Tl3  1  0.52  0.35  0.56  1.0

Ca Mg Tl Tl