data_Mn2GaTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   143.95
_cell_angle_beta   130.52
_cell_angle_gamma   62.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GaTc
_chemical_formula_sum   'Mn2 Ga1 Tc1'
_cell_volume   50.14
_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
  Mn  Mn1  1  0.5  0.0  0.03  1.0
  Mn  Mn2  1  0.0  0.0  0.03  1.0
  Ga  Ga0  1  0.0  0.0  0.25  1.0
  Tc  Tc3  1  0.5  0.0  0.09  1.0

data_Mn2GaTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.05
_cell_length_c   4.84
_cell_angle_alpha   114.74
_cell_angle_beta   108.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GaTc
_chemical_formula_sum   'Mn2 Ga1 Tc1'
_cell_volume   50.14
_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
  Mn  Mn0  1  0.0  0.03  0.03  1.0
  Mn  Mn1  1  0.0  0.03  0.53  1.0
  Ga  Ga2  1  0.0  0.25  0.25  1.0
  Tc  Tc3  1  0.0  0.09  0.59  1.0

Mn Mn Ga Tc
Mn Mn Ga Tc 0 3 o o o 1 2 o o o 