data_[Mn2As8]
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 [P-1]
_cell_length_a [5.5928]
_cell_length_b [6.2981]
_cell_length_c [6.3275]
_cell_angle_alpha [68.7786]
_cell_angle_beta [63.8752]
_cell_angle_gamma [85.4228]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnAs4]
_chemical_formula_sum '[Mn2 As8]'
_cell_volume [185.6952]
_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  2  0.0010  0.7234  0.7850  1.0
  As  As1  2  0.1162  0.1429  0.5726  1.0
  As  As2  2  0.1239  0.6622  0.1133  1.0
  As  As3  2  0.4341  0.2005  0.9607  1.0
  As  As4  2  0.4408  0.6975  0.4991  1.0
]