data_MgTaMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   146.87
_cell_angle_beta   130.71
_cell_angle_gamma   60.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaMn2
_chemical_formula_sum   'Mg1 Ta1 Mn2'
_cell_volume   57.28
_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  0.1  1.0
  Ta  Ta3  1  0.0  0.16  0.11  1.0
  Mn  Mn1  1  0.0  0.16  0.32  1.0
  Mn  Mn2  1  0.0  0.0  0.9  1.0

data_MgTaMn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.33
_cell_length_c   5.19
_cell_angle_alpha   114.64
_cell_angle_beta   106.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaMn2
_chemical_formula_sum   'Mg1 Ta1 Mn2'
_cell_volume   57.28
_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  0.1  0.1  1.0
  Ta  Ta1  1  0.84  0.94  0.94  1.0
  Mn  Mn2  1  0.0  0.9  0.9  1.0
  Mn  Mn3  1  0.84  0.16  0.16  1.0

Mg Ta Mn Mn