data_Mn2TlCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21
_cell_length_b   8.21
_cell_length_c   8.21
_cell_angle_alpha   20.22
_cell_angle_beta   20.22
_cell_angle_gamma   20.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TlCr
_chemical_formula_sum   'Mn2 Tl1 Cr1'
_cell_volume   57.79
_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
  Mn  Mn1  1  0.0  0.0  0.74  1.0
  Mn  Mn2  1  0.0  0.0  0.36  1.0
  Tl  Tl3  1  0.0  0.0  0.05  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Mn2TlCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   2.88
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   101.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2TlCr
_chemical_formula_sum   'Mn4 Tl2 Cr2'
_cell_volume   115.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mn  Mn0  2  -0.0  0.0  0.26  1.0
  Mn  Mn1  2  0.0  0.0  0.64  1.0
  Tl  Tl2  2  0.0  0.0  0.95  1.0
  Cr  Cr3  2  0.0  0.0  0.0  1.0

Mn Mn Tl Cr
Mn Mn Tl Cr 0 3 o o + 0 2 o o + 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 1 2 o o o 2 3 o o o 