data_MgTaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.12
_cell_angle_alpha   94.07
_cell_angle_beta   94.07
_cell_angle_gamma   31.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaSn2
_chemical_formula_sum   'Mg1 Ta1 Sn2'
_cell_volume   85.77
_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  0.19  0.0  0.21  1.0
  Ta  Ta3  1  0.24  0.0  0.65  1.0
  Sn  Sn1  1  0.05  0.0  0.14  1.0
  Sn  Sn2  1  0.33  0.0  0.66  1.0

data_MgTaSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.12
_cell_length_c   5.67
_cell_angle_alpha   94.07
_cell_angle_beta   105.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaSn2
_chemical_formula_sum   'Mg1 Ta1 Sn2'
_cell_volume   85.77
_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  0.21  0.19  1.0
  Ta  Ta1  1  0.0  0.65  0.24  1.0
  Sn  Sn2  1  0.0  0.14  0.05  1.0
  Sn  Sn3  1  0.0  0.66  0.33  1.0

Mg Ta Sn Sn
Mg Ta Sn Sn 0 2 o o o 1 3 o o o 