data_[Mn1Cu2As3]
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 [Pm]
_cell_length_a [3.0619]
_cell_length_b [19.9491]
_cell_length_c [4.3361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnCu2As3]
_chemical_formula_sum '[Mn1 Cu2 As3]'
_cell_volume [256.9616]
_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  0.5853  0.0000  0.8713  1
  Cu  Cu1  2  0.0955  0.1057  0.5860  1
  As  As2  2  0.7547  0.1240  0.0223  1
  As  As3  1  0.2122  0.0000  0.3131  1
]