data_[Ti4Mn2As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0302]
_cell_length_b [3.5266]
_cell_length_c [6.1759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2MnAs4]
_chemical_formula_sum '[Ti4 Mn2 As8]'
_cell_volume [251.6101]
_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
[
  Ti  Ti0  4  0.2494  0.5000  0.7541  1
  Mn  Mn1  2  0.0000  0.0000  0.0000  1
  As  As2  4  0.1105  0.5000  0.2899  1
  As  As3  4  0.1135  0.0000  0.7799  1
]