# generated using pymatgen
data_CaTcO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49936721
_cell_length_b   5.49936721
_cell_length_c   5.49936725
_cell_angle_alpha   60.72498468
_cell_angle_beta   60.72498468
_cell_angle_gamma   60.72498979
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcO3
_chemical_formula_sum   'Ca2 Tc2 O6'
_cell_volume   119.52833820
_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
  Ca  Ca0  1  0.73501800  0.73501800  0.73501800  1.0
  Ca  Ca1  1  0.23501800  0.23501800  0.23501800  1.0
  Tc  Tc2  1  0.99501800  0.99501800  0.99501800  1.0
  Tc  Tc3  1  0.49501800  0.49501800  0.49501800  1.0
  O  O4  1  0.32768300  0.75006100  0.16372700  1.0
  O  O5  1  0.75006100  0.16372700  0.32768300  1.0
  O  O6  1  0.16372700  0.32768300  0.75006100  1.0
  O  O7  1  0.25006100  0.82768300  0.66372700  1.0
  O  O8  1  0.66372700  0.25006100  0.82768300  1.0
  O  O9  1  0.82768300  0.66372700  0.25006100  1.0