data_MgTaIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15
_cell_length_b   7.15
_cell_length_c   7.15
_cell_angle_alpha   156.01
_cell_angle_beta   156.01
_cell_angle_gamma   34.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaIn
_chemical_formula_sum   'Mg1 Ta1 In1'
_cell_volume   60.24
_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  Mg1  1  0.0  0.0  0.5  1.0
  Ta  Ta2  1  0.0  0.0  0.16  1.0
  In  In0  1  0.0  0.0  0.01  1.0

data_MgTaIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   107.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTaIn
_chemical_formula_sum   'Mg2 Ta2 In2'
_cell_volume   120.47
_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
  Mg  Mg0  2  0.5  0.0  0.5  1.0
  Ta  Ta1  2  0.16  0.0  0.16  1.0
  In  In2  2  0.01  0.0  0.01  1.0

Mg Ta In