data_[Sr6Ca3Tc3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.7844]
_cell_length_b [3.7844]
_cell_length_c [34.4036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr2CaTc]
_chemical_formula_sum '[Sr6 Ca3 Tc3]'
_cell_volume [426.7114]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  3  0.0000  0.0000  0.0024  1
  Sr  Sr1  3  0.0000  0.0000  0.2270  1
  Ca  Ca2  3  0.0000  0.0000  0.7729  1
  Tc  Tc3  3  0.0000  0.0000  0.4977  1
]