data_[Sr2Ca2Tc4]
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 [Imm2]
_cell_length_a [3.7754]
_cell_length_b [5.3232]
_cell_length_c [10.1841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [SrCaTc2]
_chemical_formula_sum '[Sr2 Ca2 Tc4]'
_cell_volume [204.6712]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.2720  1
  Ca  Ca1  2  0.0000  0.0000  0.4859  1
  Tc  Tc2  2  0.0000  0.0000  0.0539  1
  Tc  Tc3  2  0.0000  0.5000  0.6882  1
]