data_[Mg2Ta2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.9513]
_cell_length_b [3.6533]
_cell_length_c [9.4195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [MgTaCu]
_chemical_formula_sum '[Mg2 Ta2 Cu2]'
_cell_volume [101.5628]
_cell_formula_units_Z [2]
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  0.0000  0.5000  0.0986  1
  Mg  Mg1  1  0.0000  0.5000  0.7842  1
  Ta  Ta2  1  0.0000  0.5000  0.4197  1
  Ta  Ta3  1  0.5000  0.0000  0.5857  1
  Cu  Cu4  1  0.5000  0.0000  0.2628  1
  Cu  Cu5  1  0.5000  0.0000  0.9278  1
]