data_[Ti4Ga3Co1]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.0726]
_cell_length_b [4.0503]
_cell_length_c [10.0232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ti4Ga3Co]
_chemical_formula_sum '[Ti4 Ga3 Co1]'
_cell_volume [124.7392]
_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  0.0000  0.0000  0.1471  1.0
  Ti  Ti1  1  0.0000  0.5000  0.8490  1.0
  Ti  Ti2  1  0.5000  0.0000  0.6662  1.0
  Ti  Ti3  1  0.5000  0.5000  0.3202  1.0
  Ga  Ga4  1  0.0000  0.0000  0.4193  1.0
  Ga  Ga5  1  0.0000  0.5000  0.5780  1.0
  Ga  Ga6  1  0.5000  0.0000  0.9297  1.0
  Co  Co7  1  0.5000  0.5000  0.0906  1.0
]