# generated using pymatgen
data_BaTcNiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17748757
_cell_length_b   7.17748757
_cell_length_c   7.17748841
_cell_angle_alpha   147.64252957
_cell_angle_beta   147.64252560
_cell_angle_gamma   46.41334610
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTcNiAs2
_chemical_formula_sum   'Ba1 Tc1 Ni1 As2'
_cell_volume   105.53720094
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.00000000  1.0
  Tc  Tc1  1  0.75000000  0.25000000  0.50000000  1.0
  Ni  Ni2  1  0.25000000  0.75000000  0.50000000  1.0
  As  As3  1  0.35115610  0.35115610  1.00000000  1.0
  As  As4  1  0.64884390  0.64884390  0.00000000  1.0