# generated using pymatgen
data_CaTcO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93786515
_cell_length_b   3.93786515
_cell_length_c   3.93870991
_cell_angle_alpha   89.86167546
_cell_angle_beta   89.86167546
_cell_angle_gamma   89.87528429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcO3
_chemical_formula_sum   'Ca1 Tc1 O3'
_cell_volume   61.07621567
_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
  Ca  Ca0  1  0.99508200  0.99508200  0.99834700  1.0
  Tc  Tc1  1  0.49821000  0.49821000  0.48679900  1.0
  O  O2  1  0.49704400  0.99839000  0.48341300  1.0
  O  O3  1  0.50077300  0.50077300  0.98628700  1.0
  O  O4  1  0.99839000  0.49704400  0.48341300  1.0