data_Mn2TlCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   3.57
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TlCr
_chemical_formula_sum   'Mn2 Tl1 Cr1'
_cell_volume   56.95
_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  0.77  0.78  0.66  1.0
  Mn  Mn2  1  0.4  0.0  0.04  1.0
  Tl  Tl3  1  1.0  0.78  0.81  1.0
  Cr  Cr0  1  0.42  0.0  0.64  1.0

data_Mn2TlCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.57
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TlCr
_chemical_formula_sum   'Mn2 Tl1 Cr1'
_cell_volume   56.95
_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  Mn0  1  0.4  0.0  0.04  1.0
  Mn  Mn1  1  0.77  0.78  0.66  1.0
  Tl  Tl2  1  1.0  0.78  0.81  1.0
  Cr  Cr3  1  0.42  0.0  0.64  1.0

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