data_MgTa2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.63
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   101.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2As
_chemical_formula_sum   'Mg1 Ta2 As1'
_cell_volume   71.67
_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  0.14  0.0  1.0  1.0
  Ta  Ta2  1  0.7  0.32  0.26  1.0
  Ta  Ta3  1  0.86  0.0  0.38  1.0
  As  As0  1  0.95  0.32  0.55  1.0

data_MgTa2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.63
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   101.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2As
_chemical_formula_sum   'Mg1 Ta2 As1'
_cell_volume   71.67
_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  0.14  0.0  1.0  1.0
  Ta  Ta1  1  0.7  0.32  0.26  1.0
  Ta  Ta2  1  0.86  0.0  0.38  1.0
  As  As3  1  0.95  0.32  0.55  1.0

Mg Ta Ta As
Mg Ta Ta As 0 3 - o o 0 2 - o + 0 2 o o + 0 1 - o + 0 1 o o + 0 0 + o o 1 2 o o o 1 3 o o o 2 3 o o o 