data_NaTcAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   149.15
_cell_angle_beta   149.15
_cell_angle_gamma   44.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTcAs
_chemical_formula_sum   'Na1 Tc1 As1'
_cell_volume   58.02
_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
  Na  Na1  1  0.0  0.0  0.76  1.0
  Tc  Tc2  1  0.0  0.0  0.05  1.0
  As  As0  1  0.0  0.0  0.4  1.0

data_NaTcAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   112.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTcAs
_chemical_formula_sum   'Na2 Tc2 As2'
_cell_volume   116.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Na  Na0  2  0.26  0.5  0.76  1.0
  Tc  Tc1  2  0.05  0.0  0.05  1.0
  As  As2  2  0.4  0.0  0.4  1.0

Na Tc As
Na Tc As 0 1 o o + 0 2 o o o 1 2 o o o 