data_[Ti1Ga1Mo1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Mo  2.1600  1.4500  0.7750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8335]
_cell_length_b [4.8335]
_cell_length_c [4.7096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TiGaMoSe2]
_chemical_formula_sum '[Ti1 Ga1 Mo1 Se2]'
_cell_volume [110.0260]
_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  0.5000  0.5000  0.5000  1
  Ga  Ga1  1  0.0000  0.0000  0.0000  1
  Mo  Mo2  1  0.0000  0.0000  0.5000  1
  Se  Se3  2  0.0000  0.5000  0.0000  1
]