data_TcMo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69
_cell_length_b   8.69
_cell_length_c   8.69
_cell_angle_alpha   19.24
_cell_angle_beta   19.24
_cell_angle_gamma   19.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMo2As
_chemical_formula_sum   'Tc1 Mo2 As1'
_cell_volume   62.34
_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  0.84  1.0
  Mo  Mo1  1  0.0  0.0  0.52  1.0
  Mo  Mo2  1  0.0  0.0  0.25  1.0
  As  As0  1  0.0  0.0  0.36  1.0

data_TcMo2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   2.91
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   101.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcMo2As
_chemical_formula_sum   'Tc2 Mo4 As2'
_cell_volume   124.69
_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
  Tc  Tc0  2  -0.0  0.0  0.16  1.0
  Mo  Mo1  2  -0.0  0.0  0.75  1.0
  Mo  Mo2  2  -0.0  0.0  0.48  1.0
  As  As3  2  -0.0  0.0  0.64  1.0

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