data_TcMo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   144.1
_cell_angle_beta   131.13
_cell_angle_gamma   62.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMo2As
_chemical_formula_sum   'Tc1 Mo2 As1'
_cell_volume   60.23
_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
  Tc  Tc3  1  0.0  0.0  0.43  1.0
  Mo  Mo1  1  0.59  0.0  0.14  1.0
  Mo  Mo2  1  0.0  0.14  0.28  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_TcMo2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.27
_cell_length_c   5.17
_cell_angle_alpha   114.43
_cell_angle_beta   107.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMo2As
_chemical_formula_sum   'Tc1 Mo2 As1'
_cell_volume   60.23
_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
  Tc  Tc0  1  0.57  0.57  0.57  1.0
  Mo  Mo1  1  0.45  0.86  0.45  1.0
  Mo  Mo2  1  0.72  0.86  0.86  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Tc Mo Mo As