data_[Mn1Cu3As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7069]
_cell_length_b [7.4026]
_cell_length_c [18.9102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Mn(CuAs)3]
_chemical_formula_sum '[Mn1 Cu3 As3]'
_cell_volume [378.9293]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.4590  1
  Cu  Cu1  2  0.0000  0.3101  0.4622  1
  Cu  Cu2  1  0.0000  0.0000  0.5850  1
  As  As3  2  0.5000  0.2804  0.5767  1
  As  As4  1  0.5000  0.5000  0.3782  1
]