data_[Na4Ga4Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.0919]
_cell_length_b [2.9198]
_cell_length_c [14.7758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaGaTc]
_chemical_formula_sum '[Na4 Ga4 Tc4]'
_cell_volume [219.6648]
_cell_formula_units_Z [4]
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
[
  Na  Na0  2  0.3237  0.5000  0.9044  1
  Na  Na1  2  0.4754  0.0000  0.1220  1
  Ga  Ga2  2  0.3076  0.5000  0.2995  1
  Ga  Ga3  2  0.4867  0.0000  0.7278  1
  Tc  Tc4  2  0.1427  0.0000  0.4463  1
  Tc  Tc5  2  0.3149  0.5000  0.5811  1
]