data_[Mn8As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [8.3363]
_cell_length_b [2.8669]
_cell_length_c [6.5465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2As]
_chemical_formula_sum '[Mn8 As4]'
_cell_volume [145.8997]
_cell_formula_units_Z [4]
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  0.1516  0.0000  0.0322  1
  Mn  Mn1  4  0.1758  0.0000  0.6478  1
  As  As2  4  0.0293  0.5000  0.2865  1
]