data_[Ti4Mn2Ga5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7828]
_cell_length_b [3.0335]
_cell_length_c [8.3705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ti4Mn2Ga5]
_chemical_formula_sum '[Ti4 Mn2 Ga5]'
_cell_volume [171.6218]
_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  2  0.1809  0.5000  0.8530  1.0
  Ti  Ti1  2  0.2178  0.5000  0.4382  1.0
  Mn  Mn2  2  0.0767  0.0000  0.6393  1.0
  Ga  Ga3  2  0.1612  0.0000  0.1427  1.0
  Ga  Ga4  2  0.4549  0.0000  0.6709  1.0
  Ga  Ga5  1  0.5000  0.0000  0.0000  1.0
]