data_[Li1Mg1Ta2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.6634]
_cell_length_b [4.6660]
_cell_length_c [6.0526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiMgTa2]
_chemical_formula_sum '[Li1 Mg1 Ta2]'
_cell_volume [73.4356]
_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
[
  Li  Li0  1  0.0104  0.0000  0.5070  1
  Mg  Mg1  1  0.4087  0.5000  0.7335  1
  Ta  Ta2  1  0.5837  0.5000  0.2395  1
  Ta  Ta3  1  0.9972  0.0000  0.0200  1
]