data_MnTlAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   142.18
_cell_angle_beta   128.66
_cell_angle_gamma   65.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlAg2
_chemical_formula_sum   'Mn1 Tl1 Ag2'
_cell_volume   78.11
_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  Mn2  1  0.0  0.0  0.55  1.0
  Tl  Tl3  1  0.0  0.38  0.27  1.0
  Ag  Ag0  1  0.0  0.0  0.04  1.0
  Ag  Ag1  1  0.78  0.0  0.37  1.0

data_MnTlAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.76
_cell_length_c   5.49
_cell_angle_alpha   115.67
_cell_angle_beta   108.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTlAg2
_chemical_formula_sum   'Mn1 Tl1 Ag2'
_cell_volume   78.11
_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  0.0  0.55  0.55  1.0
  Tl  Tl1  1  0.62  0.89  0.89  1.0
  Ag  Ag2  1  0.0  0.04  0.04  1.0
  Ag  Ag3  1  0.0  0.37  0.59  1.0

Mn Tl Ag Ag