# generated using pymatgen
data_CaTcO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42016857
_cell_length_b   5.59445017
_cell_length_c   7.74489509
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcO3
_chemical_formula_sum   'Ca4 Tc4 O12'
_cell_volume   234.84739259
_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
  Ca  Ca0  1  0.01391034  0.44384616  0.25000000  1.0
  Ca  Ca1  1  0.48608966  0.94384616  0.25000000  1.0
  Ca  Ca2  1  0.98608966  0.55615384  0.75000000  1.0
  Ca  Ca3  1  0.51391034  0.05615384  0.75000000  1.0
  Tc  Tc4  1  0.50000000  0.50000000  -0.00000000  1.0
  Tc  Tc5  1  -0.00000000  -0.00000000  0.50000000  1.0
  Tc  Tc6  1  0.50000000  0.50000000  0.50000000  1.0
  Tc  Tc7  1  -0.00000000  -0.00000000  -0.00000000  1.0
  O  O8  1  0.90257108  0.03201350  0.25000000  1.0
  O  O9  1  0.59742892  0.53201350  0.25000000  1.0
  O  O10  1  0.09742892  0.96798650  0.75000000  1.0
  O  O11  1  0.40257108  0.46798650  0.75000000  1.0
  O  O12  1  0.19852214  0.70187717  0.05040472  1.0
  O  O13  1  0.30147786  0.20187717  0.44959528  1.0
  O  O14  1  0.80147786  0.29812283  0.55040472  1.0
  O  O15  1  0.69852214  0.79812283  0.94959528  1.0
  O  O16  1  0.80147786  0.29812283  0.94959528  1.0
  O  O17  1  0.69852214  0.79812283  0.55040472  1.0
  O  O18  1  0.19852214  0.70187717  0.44959528  1.0
  O  O19  1  0.30147786  0.20187717  0.05040472  1.0