data_[Mn4As6]
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 [P2_1]
_cell_length_a [5.4865]
_cell_length_b [5.0864]
_cell_length_c [19.1089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Mn2As3]
_chemical_formula_sum '[Mn4 As6]'
_cell_volume [533.2569]
_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  0.0104  0.0974  0.4973  1
  Mn  Mn1  2  0.4758  0.3369  0.5315  1
  As  As2  2  0.0640  0.3388  0.6075  1
  As  As3  2  0.2407  0.3722  0.4120  1
  As  As4  2  0.2869  0.8396  0.5824  1
]