data_TiMn2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   4.77
_cell_angle_alpha   104.86
_cell_angle_beta   104.86
_cell_angle_gamma   39.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn2V
_chemical_formula_sum   'Ti1 Mn2 V1'
_cell_volume   50.16
_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  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.56  0.0  0.25  1.0
  Mn  Mn1  1  0.92  0.0  0.34  1.0
  V  V3  1  0.24  0.0  0.3  1.0

data_TiMn2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.13
_cell_length_c   4.77
_cell_angle_alpha   104.86
_cell_angle_beta   90.0
_cell_angle_gamma   109.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn2V
_chemical_formula_sum   'Ti1 Mn2 V1'
_cell_volume   50.16
_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  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.08  0.66  1.0
  Mn  Mn2  1  0.0  0.44  0.75  1.0
  V  V3  1  0.0  0.76  0.7  1.0

Ti Mn Mn V