data_[Fe1Mo3As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.9953]
_cell_length_b [3.3538]
_cell_length_c [6.4025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [FeMo3As4]
_chemical_formula_sum '[Fe1 Mo3 As4]'
_cell_volume [128.7365]
_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
[
  Fe  Fe0  1  0.5119  0.5000  0.6843  1.0
  Mo  Mo1  1  0.0099  0.5000  0.8157  1.0
  Mo  Mo2  1  0.4872  0.0000  0.3069  1.0
  Mo  Mo3  1  0.9948  0.0000  0.1879  1.0
  As  As4  1  0.1926  0.5000  0.4426  1.0
  As  As5  1  0.3148  0.0000  0.9207  1.0
  As  As6  1  0.6926  0.5000  0.0707  1.0
  As  As7  1  0.7963  0.0000  0.5713  1.0
]