data_[Mn4As8]
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 [Cm]
_cell_length_a [8.5188]
_cell_length_b [3.2194]
_cell_length_c [7.7470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnAs2]
_chemical_formula_sum '[Mn4 As8]'
_cell_volume [212.3209]
_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  2  0.0236  0.0000  0.6264  1
  Mn  Mn1  2  0.3112  0.5000  0.9539  1
  As  As2  2  0.0886  0.5000  0.3972  1
  As  As3  2  0.0935  0.0000  0.9542  1
  As  As4  2  0.3123  0.0000  0.7007  1
  As  As5  2  0.3375  0.0000  0.2009  1
]