data_[Mn1Cu4As3]
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 [P1]
_cell_length_a [4.1227]
_cell_length_b [5.7558]
_cell_length_c [18.5982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [109.6767]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnCu4As3]
_chemical_formula_sum '[Mn1 Cu4 As3]'
_cell_volume [415.5552]
_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  0.9578  0.2836  0.4117  1
  Cu  Cu1  1  0.1900  0.7498  0.4483  1
  Cu  Cu2  1  0.4124  0.1923  0.4835  1
  Cu  Cu3  1  0.7630  0.5196  0.5629  1
  Cu  Cu4  1  0.7731  0.9280  0.5090  1
  As  As5  1  0.1660  0.2904  0.5958  1
  As  As6  1  0.2553  0.8771  0.5864  1
  As  As7  1  0.5955  0.5560  0.4023  1
]