data_TiMn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.02
_cell_angle_alpha   110.92
_cell_angle_beta   110.92
_cell_angle_gamma   41.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn2As
_chemical_formula_sum   'Ti1 Mn2 As1'
_cell_volume   53.95
_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
  Ti  Ti3  1  0.62  0.0  0.92  1.0
  Mn  Mn1  1  0.97  0.0  0.09  1.0
  Mn  Mn2  1  0.1  0.0  0.75  1.0
  As  As0  1  0.16  0.0  0.82  1.0

data_TiMn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.02
_cell_length_c   4.69
_cell_angle_alpha   110.92
_cell_angle_beta   110.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn2As
_chemical_formula_sum   'Ti1 Mn2 As1'
_cell_volume   53.95
_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
  Ti  Ti0  1  0.0  0.92  0.62  1.0
  Mn  Mn1  1  0.0  0.09  0.97  1.0
  Mn  Mn2  1  0.0  0.75  0.1  1.0
  As  As3  1  0.0  0.82  0.16  1.0

Ti Mn Mn As