data_CaMnTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   6.12
_cell_angle_alpha   103.88
_cell_angle_beta   103.88
_cell_angle_gamma   43.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnTl2
_chemical_formula_sum   'Ca1 Mn1 Tl2'
_cell_volume   104.19
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.91  0.0  0.96  1.0
  Tl  Tl2  1  0.11  0.0  0.19  1.0
  Tl  Tl3  1  0.71  0.0  0.72  1.0

data_CaMnTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   5.06
_cell_length_c   6.12
_cell_angle_alpha   103.88
_cell_angle_beta   90.0
_cell_angle_gamma   111.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnTl2
_chemical_formula_sum   'Ca1 Mn1 Tl2'
_cell_volume   104.19
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.09  0.04  1.0
  Tl  Tl2  1  0.0  0.29  0.28  1.0
  Tl  Tl3  1  0.0  0.89  0.81  1.0

Ca Mn Tl Tl