data_[Li6Mg2As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.4888]
_cell_length_b [8.2418]
_cell_length_c [7.1546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Li3MgAs2]
_chemical_formula_sum '[Li6 Mg2 As4]'
_cell_volume [205.7214]
_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
[
  Li  Li0  2  0.0000  0.0855  0.4448  1
  Li  Li1  2  0.0000  0.3272  0.8855  1
  Li  Li2  2  0.5000  0.1661  0.1210  1
  Mg  Mg3  2  0.5000  0.4080  0.5521  1
  As  As4  2  0.0000  0.3801  0.2485  1
  As  As5  2  0.5000  0.1267  0.7481  1
]