data_Co2TcAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   145.97
_cell_angle_beta   129.38
_cell_angle_gamma   62.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2TcAs
_chemical_formula_sum   'Co2 Tc1 As1'
_cell_volume   50.58
_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
  Co  Co1  1  0.0  0.1  0.28  1.0
  Co  Co2  1  0.44  0.0  0.92  1.0
  Tc  Tc3  1  0.0  0.0  0.2  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Co2TcAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.2
_cell_length_c   4.91
_cell_angle_alpha   115.31
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2TcAs
_chemical_formula_sum   'Co2 Tc1 As1'
_cell_volume   50.58
_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
  Co  Co0  1  0.52  0.08  0.52  1.0
  Co  Co1  1  0.72  0.82  0.82  1.0
  Tc  Tc2  1  0.8  0.8  0.8  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Co Co Tc As
Co Co Tc As 0 2 o o o 0 1 - o - 0 3 o o o 1 3 o o + 1 3 + o + 1 2 + o + 2 3 o o o 