data_Ti2MnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   5.01
_cell_angle_alpha   103.13
_cell_angle_beta   103.13
_cell_angle_gamma   39.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnRu
_chemical_formula_sum   'Ti2 Mn1 Ru1'
_cell_volume   57.33
_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
  Ti  Ti2  1  0.7  0.0  0.16  1.0
  Ti  Ti3  1  0.16  0.0  0.7  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.43  0.0  0.43  1.0

data_Ti2MnRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.29
_cell_length_c   5.01
_cell_angle_alpha   103.13
_cell_angle_beta   90.0
_cell_angle_gamma   109.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnRu
_chemical_formula_sum   'Ti2 Mn1 Ru1'
_cell_volume   57.33
_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
  Ti  Ti0  1  0.0  0.3  0.84  1.0
  Ti  Ti1  1  0.0  0.84  0.3  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.57  0.57  1.0

Ti Ti Mn Ru