data_[Sr1Ca1Tc1O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1467]
_cell_length_b [5.5466]
_cell_length_c [5.7051]
_cell_angle_alpha [61.1911]
_cell_angle_beta [89.9465]
_cell_angle_gamma [88.3121]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrCaTcO6]
_chemical_formula_sum '[Sr1 Ca1 Tc1 O6]'
_cell_volume [142.6256]
_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
[
  Sr  Sr0  1  0.0058  0.9953  0.9979  1
  Ca  Ca1  1  0.5131  0.3298  0.3394  1
  Tc  Tc2  1  0.4839  0.6440  0.7026  1
  O  O3  1  0.2655  0.4062  0.9487  1
  O  O4  1  0.2935  0.9586  0.6523  1
  O  O5  1  0.3286  0.7031  0.3676  1
  O  O6  1  0.6901  0.3690  0.6840  1
  O  O7  1  0.7044  0.9263  0.3753  1
  O  O8  1  0.7151  0.6678  0.9320  1
]