data_[Mn6Te4As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [19.9122]
_cell_length_b [10.2192]
_cell_length_c [4.5556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Mn3Te2As3]
_chemical_formula_sum '[Mn6 Te4 As6]'
_cell_volume [926.9994]
_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
[
  Mn  Mn0  4  0.3869  0.0642  0.9343  1
  Mn  Mn1  2  0.5000  0.0000  0.5312  1
  Te  Te2  4  0.3767  0.6063  0.9463  1
  As  As3  4  0.4001  0.1764  0.4497  1
  As  As4  2  0.5000  0.0000  0.0280  1
]