data_[Mg1Mn6As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.2447]
_cell_length_b [7.2447]
_cell_length_c [3.5239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mg(Mn3As2)2]
_chemical_formula_sum '[Mg1 Mn6 As4]'
_cell_volume [160.1748]
_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  0.6667  0.3333  0.0000  1.0
  Mn  Mn1  3  0.0710  0.5355  0.5000  1.0
  Mn  Mn2  3  0.1348  0.2696  0.0000  1.0
  As  As3  3  0.3055  0.1528  0.5000  1.0
  As  As4  1  0.3333  0.6667  0.0000  1.0
]