data_BiMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   9.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMoAs2
_chemical_formula_sum   'Bi1 Mo1 As2'
_cell_volume   86.29
_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
  Bi  Bi2  1  0.78  0.0  0.64  1.0
  Mo  Mo3  1  0.0  0.0  0.19  1.0
  As  As0  1  0.78  0.0  0.41  1.0
  As  As1  1  0.0  0.0  0.4  1.0

data_BiMoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   9.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMoAs2
_chemical_formula_sum   'Bi1 Mo1 As2'
_cell_volume   86.29
_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
  Bi  Bi0  1  0.78  0.0  0.64  1.0
  Mo  Mo1  1  0.0  0.0  0.19  1.0
  As  As2  1  0.0  0.0  0.4  1.0
  As  As3  1  0.78  0.0  0.41  1.0

Bi Mo As As
Bi Mo As As 0 3 + o o 0 2 o o o 1 2 - o o 1 3 o o o 2 3 + o o 