data_MgTa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.52
_cell_angle_alpha   99.44
_cell_angle_beta   99.44
_cell_angle_gamma   35.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2Bi
_chemical_formula_sum   'Mg1 Ta2 Bi1'
_cell_volume   84.78
_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  0.15  0.0  0.31  1.0
  Ta  Ta2  1  0.87  0.0  0.33  1.0
  Ta  Ta3  1  0.82  0.0  0.23  1.0
  Bi  Bi0  1  0.54  0.0  0.72  1.0

data_MgTa2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.2
_cell_length_c   5.52
_cell_angle_alpha   99.44
_cell_angle_beta   90.0
_cell_angle_gamma   107.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2Bi
_chemical_formula_sum   'Mg1 Ta2 Bi1'
_cell_volume   84.78
_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  0.85  0.69  1.0
  Ta  Ta1  1  0.0  0.13  0.67  1.0
  Ta  Ta2  1  0.0  0.18  0.77  1.0
  Bi  Bi3  1  0.0  0.46  0.28  1.0

Mg Ta Ta Bi