data_MgTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   138.17
_cell_angle_beta   138.17
_cell_angle_gamma   60.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTcAs2
_chemical_formula_sum   'Mg1 Tc1 As2'
_cell_volume   67.39
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.91  0.0  0.31  1.0
  As  As0  1  0.0  0.0  0.62  1.0
  As  As1  1  0.0  0.91  0.31  1.0

data_MgTcAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   5.35
_cell_angle_alpha   110.91
_cell_angle_beta   110.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTcAs2
_chemical_formula_sum   'Mg1 Tc1 As2'
_cell_volume   67.39
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.69  0.0  0.6  1.0
  As  As2  1  0.38  0.0  0.38  1.0
  As  As3  1  0.6  0.91  0.6  1.0

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