data_BaTcMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   6.94
_cell_angle_alpha   152.69
_cell_angle_beta   152.69
_cell_angle_gamma   39.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTcMo
_chemical_formula_sum   'Ba1 Tc1 Mo1'
_cell_volume   70.17
_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  0.0  0.0  0.03  1.0
  Tc  Tc2  1  0.0  0.0  0.24  1.0
  Mo  Mo1  1  0.0  0.0  0.81  1.0

data_BaTcMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   109.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaTcMo
_chemical_formula_sum   'Ba2 Tc2 Mo2'
_cell_volume   140.33
_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
  Ba  Ba0  2  0.03  0.0  0.03  1.0
  Tc  Tc1  2  0.24  0.0  0.24  1.0
  Mo  Mo2  2  0.31  0.5  0.81  1.0

Ba Tc Mo
Ba Tc Mo 0 2 o o - 0 1 o o o 